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TinkerTools / tinker9

Tinker9: Next Generation of Tinker with GPU Support
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T9_ACC_COMPILER #194

Closed eneas77 closed 2 years ago

eneas77 commented 2 years ago

After proper NVIDIA HPC SDK installation, cmake compilation fails with next message:

cmake -T9_ACC_COMPILER=/opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvc++ -B /apps/tinker/tinker9/build-cmake -S /apps/tinker/tinker9 CMake Error at CMakeLists.txt:374 (find_program): Could not find T9_ACC_COMPILER using the following names: nvc++, pgc++

-- Configuring incomplete, errors occurred!

Any idea of how to properly set the nvc++ env?

Thanks a lot

zhi-wang commented 2 years ago

Hi, I didn't create such a flag for setting the ACC compiler. If there is anything in the installation step3 (https://github.com/TinkerTools/tinker9/blob/master/doc/manual/m/install/buildwithcmake.rst) that looks ambiguous to you, please let me know. Thanks.

P.s., I'd try the following

ACC=... FC=... cmake -B ... -S ...
eneas77 commented 2 years ago

Sorted!! THanks!!