Hello Friends,
I need to install VASP on a small cluster. So, It has few library files, and could please let me know which files (intel libraries) should be loaded to install. If there are not any suitable file in this module list, could please suggest me the library files which should be install before VASP installation. I have attached the module list.
Thank you.
Which modules are suitable for VASP installation
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manoj_wijesingha
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Which modules are suitable for VASP installation
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marie-therese.huebsch
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Re: Which modules are suitable for VASP installation
Hi,
Thank you for your question!
Could you copy-paste the list of modules in plain text here? It will be easier to see for other users.
With the list of modules, I would try to aim for an intel compilation: Load
Alternatively, you can go for an AOCC compilation if your hardware is AMD. That would be the makefile.include.aocc_ompi_aocl file from arch and amd/aocc-compiler-3.1.0_module. It is not clear from the list if that module comes with mpif90, though.
Let me know if it works!
Cheers,
Marie-Therese
Thank you for your question!
Could you copy-paste the list of modules in plain text here? It will be easier to see for other users.
With the list of modules, I would try to aim for an intel compilation: Load
- intel/compiler/latest (if this is efx use the 2021 instead)
- intel/mkl/latest
- intel/mpi/latest
Alternatively, you can go for an AOCC compilation if your hardware is AMD. That would be the makefile.include.aocc_ompi_aocl file from arch and amd/aocc-compiler-3.1.0_module. It is not clear from the list if that module comes with mpif90, though.
Let me know if it works!
Cheers,
Marie-Therese