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cluster:213 [2022/07/25 11:10] hmeij07 [Amber22] |
cluster:213 [2022/07/25 14:52] hmeij07 [Amber22] |
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# copy head node's amber22_src/ | # copy head node's amber22_src/ | ||
+ | |||
+ | |||
+ | source / | ||
+ | echo $AMBERHOME | ||
# install latest openmpi version | # install latest openmpi version | ||
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tar xvfj ../ | tar xvfj ../ | ||
+ | ./ | ||
+ | # on n100 now, parallel, set | ||
+ | -MPI=TRUE | ||
+ | -DDOWNLOAD_MINICONDA=FALSE | ||
+ | ./run_cmake | ||
+ | make install | ||
+ | # on n100 just change cuda flag | ||
+ | [hmeij@n100 build]$ module load cuda/11.6 | ||
+ | [hmeij@n100 build]$ which gcc mpicc nvcc | ||
+ | / | ||
+ | / | ||
+ | / | ||
+ | [hmeij@n100 ~]$ echo $CUDA_HOME | ||
+ | / | ||
- | # Env | + | -MPI=TRUE |
+ | -CUDA=TRUE | ||
+ | -DDOWNLOAD_MINICONDA=FALSE | ||
+ | ./ | ||
+ | make install | ||
- | [hmeij@n100 ~]$ module load cuda/11.6 | ||
- | |||
- | [hmeij@n100 ~]$ echo $CUDA_HOME | ||
- | / | ||
[hmeij@n100 ~]$ which nvcc mpicc gcc | [hmeij@n100 ~]$ which nvcc mpicc gcc | ||
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/ | / | ||
/ | / | ||
- | |||
- | # [FIXED} cmake error on conda install, set to FALSE | ||
- | # OS native python, install on n[100-101] | ||
- | -- Python version 3.9 -- OK | ||
- | -- Found PythonLibs: / | ||
- | -- Checking for Python package numpy -- not found | ||
- | -- Checking for Python package scipy -- not found | ||
- | -- Checking for Python package matplotlib -- not found | ||
- | -- Checking for Python package setuptools -- found | ||
- | [END FIXED] | ||
- | |||
- | # mpi & cuda FALSE builds serial | ||
- | ./run_cmake | ||
- | make install | ||
- | # lots and lots of warnings | ||
- | |||
- | # then | ||
- | source / | ||
- | |||
- | # on n100 now, parallel, set miniconda flags to FALSE | ||
- | -MPI=TRUE | ||
- | ./run_cmake | ||
- | make install | ||
- | |||
- | # on n100 just change cuda flag | ||
- | -CUDA=TRUE | ||
- | ./run_cmake | ||
- | make install | ||
#tests | #tests |