求助：集群普通用户安装GMX2023.1 GPU版本时出错

qmlearner

大家好，如题，我在安装GMX2023.1 GPU版，make install 时出现下面错误：

[15%]Building NVCC (Device) object src/gromacs/CMakeFiles/libgromacs.dir/ewald/libgromacs_generated_pme_spread.cu.o

[15%]Building NVCC (Device) objectsrc/gromacs/CMakeFiles/libgromacs.dir/fft/libgromacs_generated_gpu_3dfft.cpp.o

[15%]Building NVCC (Device) objectsrc/gromacs/CMakeFiles/libgromacs.dir/fft/libgromacs_generated_gpu_3dfft_cufft.cu.o

src/packages/cuda/11.3/include/texture_indirect_functions.h(111):error: Internal Compiler Error (codegen): "unexpected operand in tex/surfhandler"

CMake Error atlibgromacs_generated_pme_spread.cu.o.Release.cmake:280 (message):

  Error generating file

  /home/abc123/packages/gromacs/gromacs-2023.1/build/src/gromacs/CMakeFiles/libgromacs.dir/ewald/./libgromacs_generated_pme_spread.cu.o

make[2]:***[src/gromacs/CMakeFiles/libgromacs.dir/ewald/libgromacs_generated_pme_spread.cu.o]Error 1

make[2]:*** Waiting for unfinished jobs....

src/packages/cuda/11.3/include/texture_indirect_functions.h(111):error: Internal Compiler Error (codegen): "unexpected operand in tex/surfhandler"

CMake Error atlibgromacs_generated_pme_gather.cu.o.Release.cmake:280 (message):

  Error generating file

  /home/abc123/packages/gromacs/gromacs-2023.1/build/src/gromacs/CMakeFiles/libgromacs.dir/ewald/./libgromacs_generated_pme_gather.cu.o

make[2]:***[src/gromacs/CMakeFiles/libgromacs.dir/ewald/libgromacs_generated_pme_gather.cu.o]Error 1

make[1]:*** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2

make:*** [all] Error 2

gcc我试了9.3和10.0版本，都是同样的错误。

请问这是cuda的问题吗？非常感谢！

Entropy.S.I

manual写得很明白，CUDA 11.3不能用https://manual.gromacs.org/curre ... pile-with-cuda-11-3
如果GPU是Ada架构，请用CUDA 11.8及以上版本

qmlearner

Entropy.S.I 发表于 2023-4-26 10:49
manual写得很明白，CUDA 11.3不能用https://manual.gromacs.org/curre ... pile-with-cuda-11-3
如果GPU是 ...

好的，谢谢！！