[gmx-users] OpenCL compile error

[Mark Abraham]

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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