[gmx-users] [gmx-developers] GTX 680 non detected on OS X
Uliano Guerrini
uliano.guerrini at unimi.it
Fri May 27 09:24:30 CEST 2016
Sorry!
I forgot DYLD_PRINT_LIBRARIES=TRUE when running otool the first command of the message below should read:
uliano at MacPro:~/samples$ otool -L ./bin/x86_64/darwin/release/deviceQuery
./bin/x86_64/darwin/release/deviceQuery:
/System/Library/Frameworks/CoreFoundation.framework/Versions/A/CoreFoundation (compatibility version 150.0.0, current version 1258.1.0)
/usr/lib/libc++.1.dylib (compatibility version 1.0.0, current version 120.1.0)
/usr/lib/libSystem.B.dylib (compatibility version 1.0.0, current version 1226.10.1)
uliano
> On 27 May 2016, at 09:18, Uliano Guerrini <uliano.guerrini at unimi.it> wrote:
>
> Hi Mark,
>
> I don’t think it is, officially, however cuda samples were compiled with it and did work. I didn’t use apple clang as it doesn’t support OpenMP.
>
> Anyway I compiled gromacs with apple clang and got the same “Error occurred during GPU detection" as clang 3.8
>
> I dont’t know what’s the difference but neither clang3.8 compiled deviceQuery seems to link any cuda:
>
> uliano at MacPro:~/samples$ otool -L ./bin/x86_64/darwin/release/deviceQuery
> dyld: loaded: /opt/local/bin/otool
> dyld: loaded: /usr/lib/libc++.1.dylib
> dyld: loaded: /usr/lib/libSystem.B.dylib
> dyld: loaded: /usr/lib/libc++abi.dylib
> dyld: loaded: /usr/lib/system/libcache.dylib
> dyld: loaded: /usr/lib/system/libcommonCrypto.dylib
> dyld: loaded: /usr/lib/system/libcompiler_rt.dylib
> dyld: loaded: /usr/lib/system/libcopyfile.dylib
> dyld: loaded: /usr/lib/system/libcorecrypto.dylib
> dyld: loaded: /usr/lib/system/libdispatch.dylib
> dyld: loaded: /usr/lib/system/libdyld.dylib
> dyld: loaded: /usr/lib/system/libkeymgr.dylib
> dyld: loaded: /usr/lib/system/liblaunch.dylib
> dyld: loaded: /usr/lib/system/libmacho.dylib
> dyld: loaded: /usr/lib/system/libquarantine.dylib
> dyld: loaded: /usr/lib/system/libremovefile.dylib
> dyld: loaded: /usr/lib/system/libsystem_asl.dylib
> dyld: loaded: /usr/lib/system/libsystem_blocks.dylib
> dyld: loaded: /usr/lib/system/libsystem_c.dylib
> dyld: loaded: /usr/lib/system/libsystem_configuration.dylib
> dyld: loaded: /usr/lib/system/libsystem_coreservices.dylib
> dyld: loaded: /usr/lib/system/libsystem_coretls.dylib
> dyld: loaded: /usr/lib/system/libsystem_dnssd.dylib
> dyld: loaded: /usr/lib/system/libsystem_info.dylib
> dyld: loaded: /usr/lib/system/libsystem_kernel.dylib
> dyld: loaded: /usr/lib/system/libsystem_m.dylib
> dyld: loaded: /usr/lib/system/libsystem_malloc.dylib
> dyld: loaded: /usr/lib/system/libsystem_network.dylib
> dyld: loaded: /usr/lib/system/libsystem_networkextension.dylib
> dyld: loaded: /usr/lib/system/libsystem_notify.dylib
> dyld: loaded: /usr/lib/system/libsystem_platform.dylib
> dyld: loaded: /usr/lib/system/libsystem_pthread.dylib
> dyld: loaded: /usr/lib/system/libsystem_sandbox.dylib
> dyld: loaded: /usr/lib/system/libsystem_secinit.dylib
> dyld: loaded: /usr/lib/system/libsystem_trace.dylib
> dyld: loaded: /usr/lib/system/libunc.dylib
> dyld: loaded: /usr/lib/system/libunwind.dylib
> dyld: loaded: /usr/lib/system/libxpc.dylib
> dyld: loaded: /usr/lib/libobjc.A.dylib
> dyld: loaded: /usr/lib/libauto.dylib
> dyld: loaded: /usr/lib/libDiagnosticMessagesClient.dylib
> ./bin/x86_64/darwin/release/deviceQuery:
> /System/Library/Frameworks/CoreFoundation.framework/Versions/A/CoreFoundation (compatibility version 150.0.0, current version 1258.1.0)
> /usr/lib/libc++.1.dylib (compatibility version 1.0.0, current version 120.1.0)
> /usr/lib/libSystem.B.dylib (compatibility version 1.0.0, current version 1226.10.1)
>
> however running it with export DYLD_PRINT_LIBRARIES=TRUE gives:
>
> uliano at MacPro:~/samples$ ./bin/x86_64/darwin/release/deviceQuery
> dyld: loaded: /Volumes/Stripe/Users/uliano/samples/./bin/x86_64/darwin/release/deviceQuery
> dyld: loaded: /System/Library/Frameworks/CoreFoundation.framework/Versions/A/CoreFoundation
> dyld: loaded: /usr/lib/libc++.1.dylib
> dyld: loaded: /usr/lib/libSystem.B.dylib
> dyld: loaded: /usr/lib/libauto.dylib
> dyld: loaded: /usr/lib/libDiagnosticMessagesClient.dylib
> dyld: loaded: /usr/lib/libicucore.A.dylib
> dyld: loaded: /usr/lib/libobjc.A.dylib
> dyld: loaded: /usr/lib/libz.1.dylib
> dyld: loaded: /usr/lib/libc++abi.dylib
> dyld: loaded: /usr/lib/system/libcache.dylib
> dyld: loaded: /usr/lib/system/libcommonCrypto.dylib
> dyld: loaded: /usr/lib/system/libcompiler_rt.dylib
> dyld: loaded: /usr/lib/system/libcopyfile.dylib
> dyld: loaded: /usr/lib/system/libcorecrypto.dylib
> dyld: loaded: /usr/lib/system/libdispatch.dylib
> dyld: loaded: /usr/lib/system/libdyld.dylib
> dyld: loaded: /usr/lib/system/libkeymgr.dylib
> dyld: loaded: /usr/lib/system/liblaunch.dylib
> dyld: loaded: /usr/lib/system/libmacho.dylib
> dyld: loaded: /usr/lib/system/libquarantine.dylib
> dyld: loaded: /usr/lib/system/libremovefile.dylib
> dyld: loaded: /usr/lib/system/libsystem_asl.dylib
> dyld: loaded: /usr/lib/system/libsystem_blocks.dylib
> dyld: loaded: /usr/lib/system/libsystem_c.dylib
> dyld: loaded: /usr/lib/system/libsystem_configuration.dylib
> dyld: loaded: /usr/lib/system/libsystem_coreservices.dylib
> dyld: loaded: /usr/lib/system/libsystem_coretls.dylib
> dyld: loaded: /usr/lib/system/libsystem_dnssd.dylib
> dyld: loaded: /usr/lib/system/libsystem_info.dylib
> dyld: loaded: /usr/lib/system/libsystem_kernel.dylib
> dyld: loaded: /usr/lib/system/libsystem_m.dylib
> dyld: loaded: /usr/lib/system/libsystem_malloc.dylib
> dyld: loaded: /usr/lib/system/libsystem_network.dylib
> dyld: loaded: /usr/lib/system/libsystem_networkextension.dylib
> dyld: loaded: /usr/lib/system/libsystem_notify.dylib
> dyld: loaded: /usr/lib/system/libsystem_platform.dylib
> dyld: loaded: /usr/lib/system/libsystem_pthread.dylib
> dyld: loaded: /usr/lib/system/libsystem_sandbox.dylib
> dyld: loaded: /usr/lib/system/libsystem_secinit.dylib
> dyld: loaded: /usr/lib/system/libsystem_trace.dylib
> dyld: loaded: /usr/lib/system/libunc.dylib
> dyld: loaded: /usr/lib/system/libunwind.dylib
> dyld: loaded: /usr/lib/system/libxpc.dylib
> ./bin/x86_64/darwin/release/deviceQuery Starting...
>
> CUDA Device Query (Runtime API) version (CUDART static linking)
>
> dyld: loaded: /usr/local/cuda/lib/libcuda.dylib
> dyld: loaded: /Library/Frameworks/CUDA.framework/Versions/A/CUDA
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/OpenGL
> dyld: loaded: /System/Library/Frameworks/IOKit.framework/Versions/A/IOKit
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/ApplicationServices
> dyld: loaded: /System/Library/Frameworks/Security.framework/Versions/A/Security
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries/libGLU.dylib
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries/libGFXShared.dylib
> dyld: loaded: /usr/lib/libbsm.0.dylib
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries/libGL.dylib
> dyld: loaded: /System/Library/Frameworks/IOSurface.framework/Versions/A/IOSurface
> dyld: loaded: /System/Library/Frameworks/CoreGraphics.framework/Versions/A/CoreGraphics
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/CoreServices
> dyld: loaded: /System/Library/Frameworks/CoreText.framework/Versions/A/CoreText
> dyld: loaded: /System/Library/Frameworks/ImageIO.framework/Versions/A/ImageIO
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/ATS.framework/Versions/A/ATS
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/ColorSync.framework/Versions/A/ColorSync
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/HIServices.framework/Versions/A/HIServices
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/LangAnalysis.framework/Versions/A/LangAnalysis
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/PrintCore.framework/Versions/A/PrintCore
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/QD.framework/Versions/A/QD
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/SpeechSynthesis.framework/Versions/A/SpeechSynthesis
> dyld: loaded: /System/Library/Frameworks/CFNetwork.framework/Versions/A/CFNetwork
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Accelerate
> dyld: loaded: /System/Library/Frameworks/SystemConfiguration.framework/Versions/A/SystemConfiguration
> dyld: loaded: /System/Library/PrivateFrameworks/MultitouchSupport.framework/Versions/A/MultitouchSupport
> dyld: loaded: /System/Library/Frameworks/Metal.framework/Versions/A/Metal
> dyld: loaded: /System/Library/Frameworks/Foundation.framework/Versions/C/Foundation
> dyld: loaded: /usr/lib/libenergytrace.dylib
> dyld: loaded: /usr/lib/system/libkxld.dylib
> dyld: loaded: /usr/lib/libsqlite3.dylib
> dyld: loaded: /usr/lib/libxml2.2.dylib
> dyld: loaded: /usr/lib/libxar.1.dylib
> dyld: loaded: /usr/lib/libpam.2.dylib
> dyld: loaded: /usr/lib/libOpenScriptingUtil.dylib
> dyld: loaded: /usr/lib/libbz2.1.0.dylib
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/FSEvents.framework/Versions/A/FSEvents
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/CarbonCore.framework/Versions/A/CarbonCore
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/Metadata.framework/Versions/A/Metadata
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/OSServices.framework/Versions/A/OSServices
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/SearchKit.framework/Versions/A/SearchKit
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/AE.framework/Versions/A/AE
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/LaunchServices.framework/Versions/A/LaunchServices
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/DictionaryServices.framework/Versions/A/DictionaryServices
> dyld: loaded: /System/Library/Frameworks/CoreServices.framework/Versions/A/Frameworks/SharedFileList.framework/Versions/A/SharedFileList
> dyld: loaded: /System/Library/Frameworks/DiskArbitration.framework/Versions/A/DiskArbitration
> dyld: loaded: /System/Library/Frameworks/NetFS.framework/Versions/A/NetFS
> dyld: loaded: /System/Library/PrivateFrameworks/NetAuth.framework/Versions/A/NetAuth
> dyld: loaded: /System/Library/PrivateFrameworks/login.framework/Versions/A/Frameworks/loginsupport.framework/Versions/A/loginsupport
> dyld: loaded: /System/Library/PrivateFrameworks/TCC.framework/Versions/A/TCC
> dyld: loaded: /usr/lib/libmecabra.dylib
> dyld: loaded: /System/Library/PrivateFrameworks/LanguageModeling.framework/Versions/A/LanguageModeling
> dyld: loaded: /usr/lib/libmarisa.dylib
> dyld: loaded: /usr/lib/libChineseTokenizer.dylib
> dyld: loaded: /usr/lib/libcmph.dylib
> dyld: loaded: /usr/lib/libiconv.2.dylib
> dyld: loaded: /System/Library/Frameworks/CoreData.framework/Versions/A/CoreData
> dyld: loaded: /usr/lib/libCRFSuite.dylib
> dyld: loaded: /usr/lib/libextension.dylib
> dyld: loaded: /usr/lib/libarchive.2.dylib
> dyld: loaded: /usr/lib/liblangid.dylib
> dyld: loaded: /usr/lib/liblzma.5.dylib
> dyld: loaded: /usr/lib/libcompression.dylib
> dyld: loaded: /System/Library/Frameworks/OpenDirectory.framework/Versions/A/Frameworks/CFOpenDirectory.framework/Versions/A/CFOpenDirectory
> dyld: loaded: /System/Library/Frameworks/ServiceManagement.framework/Versions/A/ServiceManagement
> dyld: loaded: /usr/lib/libxslt.1.dylib
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vImage.framework/Versions/A/vImage
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/vecLib
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libvDSP.dylib
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libvMisc.dylib
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libBLAS.dylib
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLinearAlgebra.dylib
> dyld: loaded: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libSparseBLAS.dylib
> dyld: loaded: /System/Library/PrivateFrameworks/GPUCompiler.framework/libmetal_timestamp.dylib
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries/libCoreFSCache.dylib
> dyld: loaded: /System/Library/PrivateFrameworks/IOAccelerator.framework/Versions/A/IOAccelerator
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/ATS.framework/Versions/A/Resources/libFontParser.dylib
> dyld: loaded: /System/Library/Frameworks/ApplicationServices.framework/Versions/A/Frameworks/ATS.framework/Versions/A/Resources/libFontRegistry.dylib
> dyld: loaded: /System/Library/PrivateFrameworks/AppleVPA.framework/Versions/A/AppleVPA
> dyld: loaded: /System/Library/PrivateFrameworks/AppleJPEG.framework/Versions/A/AppleJPEG
> dyld: loaded: /System/Library/Frameworks/ImageIO.framework/Versions/A/Resources/libJPEG.dylib
> dyld: loaded: /System/Library/Frameworks/ImageIO.framework/Versions/A/Resources/libTIFF.dylib
> dyld: loaded: /System/Library/Frameworks/ImageIO.framework/Versions/A/Resources/libPng.dylib
> dyld: loaded: /System/Library/Frameworks/ImageIO.framework/Versions/A/Resources/libGIF.dylib
> dyld: loaded: /System/Library/Frameworks/ImageIO.framework/Versions/A/Resources/libJP2.dylib
> dyld: loaded: /System/Library/Frameworks/ImageIO.framework/Versions/A/Resources/libRadiance.dylib
> dyld: loaded: /System/Library/Frameworks/CoreVideo.framework/Versions/A/CoreVideo
> dyld: loaded: /usr/lib/libcups.2.dylib
> dyld: loaded: /System/Library/Frameworks/Kerberos.framework/Versions/A/Kerberos
> dyld: loaded: /System/Library/Frameworks/GSS.framework/Versions/A/GSS
> dyld: loaded: /usr/lib/libresolv.9.dylib
> dyld: loaded: /System/Library/PrivateFrameworks/Heimdal.framework/Versions/A/Heimdal
> dyld: loaded: /usr/lib/libheimdal-asn1.dylib
> dyld: loaded: /System/Library/Frameworks/OpenDirectory.framework/Versions/A/OpenDirectory
> dyld: loaded: /System/Library/PrivateFrameworks/CommonAuth.framework/Versions/A/CommonAuth
> dyld: loaded: /System/Library/Frameworks/SecurityFoundation.framework/Versions/A/SecurityFoundation
> dyld: loaded: /System/Library/Frameworks/CoreAudio.framework/Versions/A/CoreAudio
> dyld: loaded: /System/Library/Frameworks/AudioToolbox.framework/Versions/A/AudioToolbox
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries/libGLImage.dylib
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries/libCVMSPluginSupport.dylib
> dyld: loaded: /System/Library/Frameworks/OpenGL.framework/Versions/A/Libraries/libCoreVMClient.dylib
> dyld: loaded: /Library/Frameworks/CUDA.framework/Libraries/libcuda_346.03.10_mercury.dylib
> dyld: loaded: /Library/Frameworks/CUDA.framework/Libraries/libgpgpucomp.dylib
> Detected 1 CUDA Capable device(s)
>
> Device 0: "GeForce GTX 680"
> CUDA Driver Version / Runtime Version 7.5 / 7.5
> CUDA Capability Major/Minor version number: 3.0
>
> I guess that the solution to my riddle has to do with that "CUDART static linking" but I have no knowledge of cuda internal working and its relations with cmake
>
> uliano
>
>
>> On 26 May 2016, at 21:12, Mark Abraham <mark.j.abraham at gmail.com> wrote:
>>
>> Hi,
>>
>> Is clang 3.8 supported by CUDA on Mac?
>>
>> Mark
>>
>> On Thu, 26 May 2016 21:05 Uliano Guerrini <uliano.guerrini at unimi.it> wrote:
>>
>>> here is part of the log:
>>>
>>> GROMACS version: VERSION 5.1.2
>>> Precision: single
>>> Memory model: 64 bit
>>> MPI library: thread_mpi
>>> OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 32)
>>> GPU support: enabled
>>> OpenCL support: disabled
>>> invsqrt routine: gmx_software_invsqrt(x)
>>> SIMD instructions: SSE4.1
>>> FFT library: fftw-3.3.4-sse2-avx
>>> RDTSCP usage: enabled
>>> C++11 compilation: disabled
>>> TNG support: enabled
>>> Tracing support: disabled
>>> Built on: Gio 26 Mag 2016 20:29:04 CEST
>>> Built by: uliano at MacPro.lan [CMAKE]
>>> Build OS/arch: Darwin 15.5.0 x86_64
>>> Build CPU vendor: GenuineIntel
>>> Build CPU brand: Intel(R) Xeon(R) CPU W3680 @ 3.33GHz
>>> Build CPU family: 6 Model: 44 Stepping: 2
>>> Build CPU features: aes apic clfsh cmov cx8 cx16 htt lahf_lm mmx msr
>>> nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1
>>> sse4.2 ssse3
>>> C compiler: /opt/local/bin/clang Clang 3.8.0
>>> C compiler flags: -msse4.1 -Wall -Wno-unused -Wunused-value
>>> -Wunused-parameter -O3 -DNDEBUG
>>> C++ compiler: /opt/local/bin/clang++ Clang 3.8.0
>>> C++ compiler flags: -msse4.1 -Wextra -Wno-missing-field-initializers
>>> -Wpointer-arith -Wall -Wno-unused-function -O3 -DNDEBUG
>>> Boost version: 1.55.0 (internal)
>>> CUDA compiler: /usr/local/cuda/bin/nvcc nvcc: NVIDIA (R) Cuda
>>> compiler driver;Copyright (c) 2005-2015 NVIDIA Corporation;Built on
>>> Mon_Apr_11_13:23:40_CDT_2016;Cuda compilation tools, release 7.5, V7.5.26
>>> CUDA compiler
>>> flags:-gencode;arch=compute_20,code=sm_20;-gencode;arch=compute_30,code=sm_30;-gencode;arch=compute_35,code=sm_35;-gencode;arch=compute_37,code=sm_37;-gencode;arch=compute_50,code=sm_50;-gencode;arch=compute_52,code=sm_52;-gencode;arch=compute_52,code=compute_52;-use_fast_math;;
>>> ;-msse4.1;-Wextra;-Wno-missing-field-initializers;-Wpointer-arith;-Wall;-Wno-unused-function;-O3;-DNDEBUG;
>>> CUDA driver: 0.0
>>> CUDA runtime: 0.0
>>>
>>>
>>> NOTE: Error occurred during GPU detection:
>>> CUDA driver version is insufficient for CUDA runtime version
>>> Can not use GPU acceleration, will fall back to CPU kernels.
>>>
>>> regarding osx equivalent of ldd I found otool -L
>>>
>>> uliano at MacPro:/opt/gromacs/bin$ otool -L gmx
>>> gmx:
>>> @rpath/libgromacs.1.dylib (compatibility version 1.0.0, current
>>> version 1.2.0)
>>> /usr/lib/libSystem.B.dylib (compatibility version 1.0.0, current
>>> version 1226.10.1)
>>> /opt/local/lib/libz.1.dylib (compatibility version 1.0.0, current
>>> version 1.2.8)
>>> /opt/local/lib/libfftw3f.3.dylib (compatibility version 8.0.0,
>>> current version 8.4.0)
>>>
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Accelerate
>>> (compatibility version 1.0.0, current version 4.0.0)
>>> /opt/local/lib/libomp/libomp.dylib (compatibility version 5.0.0,
>>> current version 5.0.0)
>>> /usr/lib/libc++.1.dylib (compatibility version 1.0.0, current
>>> version 120.1.0)
>>>
>>> and
>>>
>>> uliano at MacPro:/opt/gromacs/lib$ otool -L libgromacs.1.dylib
>>> libgromacs.1.dylib:
>>> @rpath/libgromacs.1.dylib (compatibility version 1.0.0, current
>>> version 1.2.0)
>>> /usr/lib/libSystem.B.dylib (compatibility version 1.0.0, current
>>> version 1226.10.1)
>>> /opt/local/lib/libz.1.dylib (compatibility version 1.0.0, current
>>> version 1.2.8)
>>> /opt/local/lib/libfftw3f.3.dylib (compatibility version 8.0.0,
>>> current version 8.4.0)
>>>
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Accelerate
>>> (compatibility version 1.0.0, current version 4.0.0)
>>> /opt/local/lib/libomp/libomp.dylib (compatibility version 5.0.0,
>>> current version 5.0.0)
>>> /usr/lib/libc++.1.dylib (compatibility version 1.0.0, current
>>> version 120.1.0)
>>>
>>> no sign of cuda here, however cmake did find it
>>>
>>> ...
>>> -- Found CUDA: /usr/local/cuda (found suitable version "7.5", minimum
>>> required is "4.0”)
>>> …
>>>
>>> and the build process didn’t gave any error
>>>
>>> here is a report of export DYLD_PRINT_LIBRARIES=TRUE that prints libraries
>>> as they are loaded
>>>
>>> uliano at MacPro:~/demo$ /opt/gromacs/bin/gmx mdrun -v -deffnm md_0_1
>>> dyld: loaded: /opt/gromacs/bin/gmx
>>> dyld: loaded: /opt/gromacs/bin/../lib/libgromacs.1.dylib
>>> dyld: loaded: /usr/lib/libSystem.B.dylib
>>> dyld: loaded: /opt/local/lib/libz.1.dylib
>>> dyld: loaded: /opt/local/lib/libfftw3f.3.dylib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Accelerate
>>> dyld: loaded: /opt/local/lib/libomp/libomp.dylib
>>> dyld: loaded: /usr/lib/libc++.1.dylib
>>> dyld: loaded: /usr/lib/system/libcache.dylib
>>> dyld: loaded: /usr/lib/system/libcommonCrypto.dylib
>>> dyld: loaded: /usr/lib/system/libcompiler_rt.dylib
>>> dyld: loaded: /usr/lib/system/libcopyfile.dylib
>>> dyld: loaded: /usr/lib/system/libcorecrypto.dylib
>>> dyld: loaded: /usr/lib/system/libdispatch.dylib
>>> dyld: loaded: /usr/lib/system/libdyld.dylib
>>> dyld: loaded: /usr/lib/system/libkeymgr.dylib
>>> dyld: loaded: /usr/lib/system/liblaunch.dylib
>>> dyld: loaded: /usr/lib/system/libmacho.dylib
>>> dyld: loaded: /usr/lib/system/libquarantine.dylib
>>> dyld: loaded: /usr/lib/system/libremovefile.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_asl.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_blocks.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_c.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_configuration.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_coreservices.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_coretls.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_dnssd.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_info.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_kernel.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_m.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_malloc.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_network.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_networkextension.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_notify.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_platform.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_pthread.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_sandbox.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_secinit.dylib
>>> dyld: loaded: /usr/lib/system/libsystem_trace.dylib
>>> dyld: loaded: /usr/lib/system/libunc.dylib
>>> dyld: loaded: /usr/lib/system/libunwind.dylib
>>> dyld: loaded: /usr/lib/system/libxpc.dylib
>>> dyld: loaded: /usr/lib/libobjc.A.dylib
>>> dyld: loaded: /usr/lib/libauto.dylib
>>> dyld: loaded: /usr/lib/libc++abi.dylib
>>> dyld: loaded: /usr/lib/libDiagnosticMessagesClient.dylib
>>> dyld: loaded: /opt/local/lib/openmpi-mp/libmpi.12.dylib
>>> dyld: loaded: /opt/local/lib/openmpi-mp/libopen-rte.12.dylib
>>> dyld: loaded: /opt/local/lib/openmpi-mp/libopen-pal.13.dylib
>>> dyld: loaded: /opt/local/lib/libhwloc.5.dylib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vImage.framework/Versions/A/vImage
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/vecLib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libvDSP.dylib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libvMisc.dylib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libBLAS.dylib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLinearAlgebra.dylib
>>> dyld: loaded:
>>> /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libSparseBLAS.dylib
>>> :-) GROMACS - gmx mdrun, VERSION 5.1.2 (-:
>>>
>>> no sign of cuda either
>>>
>>> uliano
>>>
>>>
>>>> Il giorno 26 mag 2016, alle ore 03:01, Szilárd Páll <
>>> pall.szilard at gmail.com> ha scritto:
>>>>
>>>> On Wed, May 25, 2016 at 8:20 PM, Uliano Guerrini <
>>> uliano.guerrini at unimi.it>
>>>> wrote:
>>>>
>>>>>
>>>>>> Il giorno 25 mag 2016, alle ore 16:30, Szilárd Páll <
>>>>> pall.szilard at gmail.com> ha scritto:
>>>>>>
>>>>>> On Wed, May 25, 2016 at 12:58 PM, Uliano Guerrini <
>>>>> uliano.guerrini at unimi.it <mailto:uliano.guerrini at unimi.it>> wrote:
>>>>>> On OSX 11.5 I instelled cuda 7.5, compiled samples and when I run:
>>>>>>
>>>>>> ./deviceQuery Starting...
>>>>>>
>>>>>> CUDA Device Query (Runtime API) version (CUDART static linking)
>>>>>>
>>>>>> Detected 1 CUDA Capable device(s)
>>>>>>
>>>>>> Device 0: "GeForce GTX 680"
>>>>>> CUDA Driver Version / Runtime Version 7.5 / 7.5
>>>>>> CUDA Capability Major/Minor version number: 3.0
>>>>>> Total amount of global memory: 4096 MBytes (4294508544
>>>>> bytes)
>>>>>> ...
>>>>>>
>>>>>> and so on, so I presume my CUDA installation is correct driver is ok
>>> and
>>>>> card is supported. Then I compiled from source using openMP enabled
>>> clang
>>>>> from macport (the one from apple is useless and gcc isn’t supported
>>> anymore
>>>>> by NVIDIA on OSX) configuring with:
>>>>>>
>>>>>> cmake ../gromacs-5.1.2 -DCMAKE_C_COMPILER=clang
>>>>> -DCMAKE_CXX_COMPILER=clang++ -DGMX_GPU=on -DCMAKE_PREFIX_PATH=/opt/local
>>>>> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
>>>>>>
>>>>>> All goes apparently well, apart from:
>>>>>>
>>>>>> -- Could not detect NVIDIA GPUs
>>>>>>
>>>>>> and:
>>>>>>
>>>>>> -- Could NOT find NVML (missing: NVML_LIBRARY NVML_INCLUDE_DIR)
>>>>>>
>>>>>> which I presume I can ignore as on OSX platform NVIDIA doesn’t offer
>>>>> NVML and GPU detection is based on that library (I also read on the net
>>> of
>>>>> people safely ignoring these warnings).
>>>>>>
>>>>>> Nevertheless when I run gmx mdrun I get the following message:
>>>>>>
>>>>>> NOTE: Error occurred during GPU detection:
>>>>>> CUDA driver version is insufficient for CUDA runtime version
>>>>>> Can not use GPU acceleration, will fall back to CPU kernels.
>>>>>>
>>>>>> My limited abilities (just some printf here and there) led me to find
>>>>> that the call to cudaGetDeviceCount on line 602 of the file
>>> gpu_utils.cu <
>>>>> http://gpu_utils.cu/> within gromacs/gmxlib/gpu_utils of the untarred
>>>>> 5.1.2 gromacs version fails.
>>>>>>
>>>>>> Any suggestions?
>>>>>>
>>>>>> Your questions are not related to development, please post such
>>>>> questions to the users' list (CCd, please continue there).
>>>>>
>>>>> Sorry for that, I gave an (admittedly fast) glance to user’s list and I
>>>>> found there lots of chemistry question so I subscribed to the wrong
>>> list.
>>>>> I’ll continue on the right one.
>>>>>
>>>>
>>>> Thanks!
>>>>
>>>>
>>>>>
>>>>>>
>>>>>> Secondly, this is intriguing, could it be that you are using a newer
>>>>> runtime form a different path with GROMACS than with the deviceQuery SDK
>>>>> sample?
>>>>>
>>>>> I (believe to) have only one (CUDA?) runtime as I installed it today.
>>>>>
>>>>
>>>> In that case, I'm not sure what could be the issue. Perhaps a dynamic
>>>> library path is missing? You can check with the equivalent of ldd on OS
>>> X.
>>>> The GROMACS log header should contain runtime and driver versions, what
>>>> does your log file show?
>>>>
>>>>
>>>>>
>>>>>>
>>>>>> BTW, I do think this should work, but to the best of my knowledge Apple
>>>>> has no official hardware that ships with or can be upgraded to GTX 680,
>>>>> right?
>>>>>
>>>>> Wrong: this is a macpro compatible (EFI firmware) GTX680 (now
>>>>> discontinued, there have been quite a lot out there, still easily found
>>> on
>>>>> ebay or similar) on a macpro 5,1 official Apple hardware.
>>>>>
>>>>> Apple itself didn’sell any GTX board (but sold some Quadro). They were
>>>>> however quite common among Adobe Suite (and other software) users.
>>>>>
>>>>
>>>> Thanks for the correction, I was not aware of that!
>>>>
>>>> --
>>>> Szilárd
>>>>
>>>>
>>>>
>>>>>
>>>>> uliano
>>>>>
>>>>>>
>>>>>> Cheers,
>>>>>> --
>>>>>> Szilárd
>>>>>
>>>>>
>>>>> --
>>>>> Gromacs Users mailing list
>>>>>
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