[gmx-users] compiling issue

[Éric Germaneau]

So sorry, I forgot to mention I use *GMX 5.0.4*.

On 01/09/2015 08:21 AM, Éric Germaneau wrote:
> Dear all,
>
> I'm trying to build GMX on a Intel CentOS release 6.6 machine using 
> icc 14.0 and CUDA 6.5.
> Here are the error I get:
>
>    [  1%] Built target mdrun_objlib
>    In file included from 
> /usr/local/cuda/include/crt/device_runtime.h(251),
>                      from
>    /usr/lib/gcc/x86_64-redhat-linux/4.4.7/include/stddef.h(212):
>    /usr/local/cuda/include/crt/storage_class.h(61): remark #7:
>    unrecognized token
>       #define __storage_auto__device__ @@@ COMPILER @@@ ERROR @@@
>
>    ...//
>
>    /usr/local/cuda/include/crt/host_runtime.h(121): remark #82: storage
>    class is not first
>       static void ____nv_dummy_param_ref(void *param) { volatile static
>    void * *__ref __attribute__((unused)); __ref = (volatile void *
>    *)param; }
>
>    ...
>
>    Scanning dependencies of target cuda_tools
>    Linking CXX static library ../../../../lib/libcuda_tools.a
>    [  1%] Built target cuda_tools
>    [  2%] [  2%] Building NVCC (Device) object
> src/gromacs/mdlib/nbnxn_cuda/CMakeFiles/nbnxn_cuda.dir/nbnxn_cuda_generated_nbnxn_cuda_data_mgmt.cu.o
>    Building NVCC (Device) object
> src/gromacs/mdlib/nbnxn_cuda/CMakeFiles/nbnxn_cuda.dir/nbnxn_cuda_generated_nbnxn_cuda.cu.o
>    /usr/local/cuda/include/crt/host_runtime.h(121): remark #82: storage
>    class is not first
>       static void ____nv_dummy_param_ref(void *param) { volatile static
>    void * *__ref __attribute__((unused)); __ref = (volatile void *
>    *)param;
>
>    ...
>
>    /tmp/iccZVwEChas_.s: Assembler messages:
>    /tmp/iccZVwEChas_.s:375: Error: suffix or operands invalid for 
> `vpaddd'
>    /tmp/iccZVwEChas_.s:467: Error: no such instruction: `vpbroadcastd
>    %xmm0,%ymm0'
>    /tmp/iccZVwEChas_.s:628: Error: suffix or operands invalid for `vpxor'
>    /tmp/iccZVwEChas_.s:629: Error: suffix or operands invalid for
>    `vpcmpeqd'
>    /tmp/iccZVwEChas_.s:630: Error: no such instruction: `vpbroadcastd
>    %xmm0,%ymm0'
>    /tmp/iccZVwEChas_.s:709: Error: suffix or operands invalid for
>    `vpcmpeqd'
>    /tmp/iccZVwEChas_.s:711: Error: suffix or operands invalid for `vpxor'
>    /tmp/iccZVwEChas_.s:712: Error: suffix or operands invalid for 
> `vpsubd'
>    /tmp/iccZVwEChas_.s:713: Error: suffix or operands invalid for 
> `vpaddd'
>    /tmp/iccZVwEChas_.s:1620: Error: no such instruction: `shlx
>    %r8d,%eax,%r11d'
>    /tmp/iccZVwEChas_.s:2000: Error: no such instruction: `shlx
>    %r8d,%eax,%r10d'
>    /tmp/iccZVwEChas_.s:2107: Error: no such instruction: `shlx
>    %r9d,%eax,%eax'
>    /tmp/iccZVwEChas_.s:2485: Error: suffix or operands invalid for 
> `vpaddd'
>    /tmp/iccZVwEChas_.s:3255: Error: suffix or operands invalid for 
> `vpaddd'
>    /tmp/iccZVwEChas_.s:3650: Error: suffix or operands invalid for 
> `vpaddd'
>    /tmp/iccZVwEChas_.s:4154: Error: suffix or operands invalid for 
> `vpaddd'
>    CMake Error at gpu_utils_generated_memtestG80_core.cu.o.cmake:264
>    (message):
>       Error generating file
> /home/eric/soft/science/opensource/gromacs/build-5.0.4/src/gromacs/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir//./gpu_utils_generated_memtestG80_core.cu.o
>
>
>    make[2]: ***
> [src/gromacs/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/gpu_utils_generated_memtestG80_core.cu.o]
>    Error 1
>    make[1]: ***
>    [src/gromacs/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/all] Error 2
>    make: *** [all] Error 2
>
> The CPU version compile smoothly.
> Any hint here ?
>
>    Éric.
>

-- 
Éric Germaneau (艾海克), Specialist
Center for High Performance Computing
Shanghai Jiao Tong University
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
M:germaneau at sjtu.edu.cn P:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn