[gmx-users] [gmx-developers] GTX 680 non detected on OS X
Uliano Guerrini
uliano.guerrini at unimi.it
Fri May 27 09:18:15 CEST 2016
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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