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[GROMACS] 求助:安装gromacs2022.6时,cmake3报错

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按照社长的帖子安装gromacs2022.6时,cmake3和make install -j出现报错,
操作系统:CentOS Linux release 7.9.2009 (Core),gcc和g++:9.3.1,python:python3.8,CUDA Version: 12.0,GPU为4090
命令如下:
cmake3 .. -DCMAKE_INSTALL_PREFIX=/data0/gromacs2022.6 -DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
make install -j
报错如下:
(1)-- Checking if nvcc accepts flags --generate-code=arch=compute_89,code=sm_89
-- Checking if nvcc accepts flags --generate-code=arch=compute_89,code=sm_89 - Failed
-- Checking if nvcc accepts flags --generate-code=arch=compute_90,code=sm_90
-- Checking if nvcc accepts flags --generate-code=arch=compute_90,code=sm_90 - Failed
-- Configuring done
-- Generating done
-- Build files have been written to: /data0/gromacs-2022.6/build
(2)CMake Error at libgromacs_generated_pme_spread.cu.o.Release.cmake:280 (message):
  Error generating file
  /data0/gromacs-2022.6/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....
/usr/local/cuda/include/texture_indirect_functions.h(111): error: Internal Compiler Error (codegen): "unexpected operand in tex/surf handler"

CMake Error at libgromacs_generated_pme_gather.cu.o.Release.cmake:280 (message):
  Error generating file
  /data0/gromacs-2022.6/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
/usr/local/cuda/include/texture_indirect_functions.h(111): error: Internal Compiler Error (codegen): "unexpected operand in tex/surf handler"

/usr/local/cuda/include/texture_indirect_functions.h(111): error: Internal Compiler Error (codegen): "unexpected operand in tex/surf handler"

CMake Error at libgromacs_generated_nbnxm_cuda_kernel_F_prune.cu.o.Release.cmake:280 (message):
  Error generating file
  /data0/gromacs-2022.6/build/src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/./libgromacs_generated_nbnxm_cuda_kernel_F_prune.cu.o


make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/libgromacs_generated_nbnxm_cuda_kernel_F_prune.cu.o] Error 1
CMake Error at libgromacs_generated_nbnxm_cuda_kernel_F_noprune.cu.o.Release.cmake:280 (message):
  Error generating file
  /data0/gromacs-2022.6/build/src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/./libgromacs_generated_nbnxm_cuda_kernel_F_noprune.cu.o


make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/libgromacs_generated_nbnxm_cuda_kernel_F_noprune.cu.o] Error 1
/usr/local/cuda/include/texture_indirect_functions.h(111): error: Internal Compiler Error (codegen): "unexpected operand in tex/surf handler"

CMake Error at libgromacs_generated_nbnxm_cuda_kernel_VF_noprune.cu.o.Release.cmake:280 (message):
  Error generating file
  /data0/gromacs-2022.6/build/src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/./libgromacs_generated_nbnxm_cuda_kernel_VF_noprune.cu.o


make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/libgromacs_generated_nbnxm_cuda_kernel_VF_noprune.cu.o] Error 1
/usr/local/cuda/include/texture_indirect_functions.h(111): error: Internal Compiler Error (codegen): "unexpected operand in tex/surf handler"

CMake Error at libgromacs_generated_nbnxm_cuda_kernel_VF_prune.cu.o.Release.cmake:280 (message):
  Error generating file
  /data0/gromacs-2022.6/build/src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/./libgromacs_generated_nbnxm_cuda_kernel_VF_prune.cu.o


make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/libgromacs_generated_nbnxm_cuda_kernel_VF_prune.cu.o] Error 1
make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [all] Error 2
想知道会这样报错的原因和解决方法,百度实在无法解决,请问各位老师这种情况怎么解决,谢谢


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