Install Yambo on Ubuntu/LinuxMint with NVfortran compiler: Difference between revisions
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./configure FC=nvfortran F77=nvfortran CC=nvc CPP="gcc -E -P" FPP="gfortran -E -P -cpp" \ | ./configure FC=nvfortran F77=nvfortran CC=nvc CPP="gcc -E -P" FPP="gfortran -E -P -cpp" \ | ||
--enable-open-mp --enable-par-linalg --enable-hdf5-par-io --enable-slepc-linalg | --enable-open-mp --enable-par-linalg --enable-hdf5-par-io --enable-slepc-linalg | ||
'''Configure NVfortran with a CUDA graphic card''' | |||
If you have an installed CUDA GPU on your machine you can compile Yambo to use it, by adding the flag ''--enable-cuda="cuda-version,card-version" | |||
Revision as of 09:15, 14 June 2021
The NVIDIA compiler are freely available on Linux machines. You can download Fortran,C, C++ compiler and debugger from:
NVIDIA HPC Software Development Kit (SDK)
Once you downloaded and installed the NVIDIA compiler do not forget to set the correct PATH and LD_LIBRARY_PATH variables.
If you want to use NVIDIA compiler in parallel you need to recompile openmpi or mpich with this compiler.
Then you can configure Yambo with the command:
./configure FC=nvfortran F77=nvfortran CC=nvc CPP="gcc -E -P" FPP="gfortran -E -P -cpp" \ --enable-open-mp --enable-par-linalg --enable-hdf5-par-io --enable-slepc-linalg
Configure NVfortran with a CUDA graphic card
If you have an installed CUDA GPU on your machine you can compile Yambo to use it, by adding the flag --enable-cuda="cuda-version,card-version"