VASP 6.4.3 compile issue 'NVFORTRAN-S-0155-Derived type has not been declared - cusolvermpgrid'
Posted: Thu Aug 01, 2024 6:15 pm
Hi,
I'm trying to compile the vasp 6.4.3 within the NVIDIA HPC-SDK version 23.5 ubuntu 20.04 docker container. The makefile.include is based on the makefile.include.nvhpc_omp_acc. I have compiled the fftw-3.3.10 within the docker container with command and . The nvcc --version shows the following 'Cuda compilation tools, release 12.1, V12.1.105'. The mpirun --version shows the following 'mpirun (Open MPI) 4.1.5rc2'. Could you help me figure out the reason for the error? Thanks.
Andy
I'm trying to compile the vasp 6.4.3 within the NVIDIA HPC-SDK version 23.5 ubuntu 20.04 docker container. The makefile.include is based on the makefile.include.nvhpc_omp_acc. I have compiled the fftw-3.3.10 within the docker container with command
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./configure --enable-shared --enable-threads --enable-openmp --prefix=/install-path
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make && make install
Andy