[gmx-users] OpenCL compile error

[Geert Konijnendijk]

Hi,

Thanks for your replies, Mark and Szilárd. Unfortunately, like Szilárd suspected, the problem is also present for me in the release-5-1 branch. When I explicitly pass -cl-std=CL2.0 along with the other build options when building nbnxn_ocl_kernels.cl in AMD CodeXL, it tells me that building OpenCL 2.0 kernels is not supported (I guess this is a CodeXL problem since the APP SDK should support OpenCL 2.0). When I pass -cl-std=CL1.2 the same thing as before happens (the build succeeds for 5 devices: Capeverde, Hainan, Oland, Pitcairn and Tahiti,  but fails for the remaining 10). 

Geert

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Szilárd Páll
Sent: maandag 22 februari 2016 19:35
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: Discussion list for GROMACS users <gromacs.org_gmx-users at maillist.sys.kth.se>
Subject: Re: [gmx-users] OpenCL compile error

Hi,

I have seen the same error when I tried to compile with -cl-std=CL2.0. I was using the master branch, but I'd be surprissed if the error did not occur in 5.1.2. With -cl-std=CL1.2 it should compile. My guess is that this is a compiler bug as the headers it complains about are where they should be (at the path passed after -I) and the error was "fixed" by copying the headers to my temp dir where the intermediate files were.

Cheers,
--
Szilárd

--
Szilárd

On Mon, Feb 22, 2016 at 6:58 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> I'm aware of some unknown problem in master branch, but the release 
> branch is fine. Please use that.
>
> Mark
>
> On Mon, 22 Feb 2016 18:31 Geert Konijnendijk <geert at konijnendijk.info>
> wrote:
>
> > Dear GMX users,
> >
> > When I try to run a simulation, I get the following error:
> >
> > Selecting kernel for AMD
> > The OpenCL compilation log has been saved in
> "nbnxn_ocl_kernels.cl.FAILED"
> >
> > -------------------------------------------------------
> > Program:     gmx mdrun, version 2016-dev-20160222-29943fe
> > Source file: src\gromacs\mdlib\nbnxn_ocl\nbnxn_ocl_jit_support.cpp 
> > (line
> > 230)
> >
> > Fatal error:
> > Failed to compile NBNXN kernels for GPU #Hawaii:  /M3l
> >
> > For more information and tips for troubleshooting, please check the
> GROMACS
> > website at http://www.gromacs.org/Documentation/Errors
> > -------------------------------------------------------
> >
> > The log file contains the following:
> >
> > Compilation of source file failed!
> > -- Used build options: -DWARP_SIZE_TEST=64 -D_AMD_SOURCE_ 
> > -DGMX_OCL_FASTGEN_ADD_TWINCUT -DEL_EWALD_ANA -DEELNAME=_ElecEw 
> > -DVDWNAME=_VdwLJ -DCENTRAL=22 
> > -DNBNXN_GPU_NCLUSTER_PER_SUPERCLUSTER=8
> > -DNBNXN_GPU_CLUSTER_SIZE=8 -DNBNXN_GPU_JGROUP_SIZE=4 
> > -DNBNXN_AVOID_SING_R2_INC=1.0e-12f
> > -I"C:\path_to_gromacs\src\gromacs\mdlib\nbnxn_ocl"
> > --------------LOG START---------------
> > C:\Users\Geert\AppData\Local\Temp\\OCL5788T8.cl:59:10: fatal error:
> > 'nbnxn_ocl_kernels_fastgen_add_twincut.clh' file not found #include 
> > FLAVOR_LEVEL_GENERATOR
> >          ^
> > C:\Users\Geert\AppData\Local\Temp\\OCL5788T8.cl:45:36: note: 
> > expanded
> from
> > macro 'FLAVOR_LEVEL_GENERATOR'
> >     #define FLAVOR_LEVEL_GENERATOR
> > "nbnxn_ocl_kernels_fastgen_add_twincut.clh"
> >                                    ^
> >
> > error: Clang front-end compilation failed!
> > Frontend phase failed compilation.
> > Error: Compiling CL to IR
> > ---------------LOG END----------------
> >
> > When I try to compile the kernel in AMD CodeXL with the same build
> options
> > as listed in the log above, it fails with the same error for most 
> > GPU architectures, but it succeeds for some.
> >
> > I am running on Windows 10, with the OpenCL library from the AMD App 
> > SDK 3.0.
> >
> > Is this a known problem and is there a simple solution, or could 
> > this be
> a
> > bug in the AMD OpenCL compiler or the gromacs OpenCL code?
> >
> > Thanks in advance!
> >
> > Geert
> >
> > --
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