[gmx-users] OpenCL compile error

Mon Feb 22 23:29:44 CET 2016

On Mon, Feb 22, 2016 at 9:22 PM, Geert Konijnendijk <geert at konijnendijk.info
> wrote:

> 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).
>

That is weird. I have ran the AMD kernels on Fiji and Hawaii, both in
CodeXL and outside - although on Linux not on Windows. Can you run the
binaries outside CodeXL?

If you are really eager to work around this, try the trick I suggested,
just put the files in you temp dir, wherever that is on Windows (and if you
happen to want to tinker with them, don't forget that those will be picked
up before the ones in the source tree - forgetting this caused me quite
some headache).

Cheers,
--
Szilárd

>
> 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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