[lammps-users] MPICH2 installation -Intel Fortran 8.0

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1

Dear Lammps Users, I am in the process of installing LAMMPS-64bit-24Dec2020-MPI.

As per the manual instructions I downloaded mpich2-1.4.1p1... and I started the installation. The wizard requires:

1) MS Development Environment, Visual Studio or gcc to compile C/C++ MPI programs.
2) Intel Fortran 8.0 or g77 to compile Fortran MPI programs.

I installed Visual Studio, but I am worried about Intel Fortran 8,0. I understand it is a very old version, so my questions are: where may I find it or another version compatible with Lammps? Is Intel Fortran compatible with my processor (AMD Ryzen Threadripper 3970X 32-Core)?

Sorry for bothering you with these very basic questions, but here I am with my adventure in parallel processing. Any suggestion would be very welcome.

Paolo botto

2

Dear Lammps Users, I am in the process of installing
LAMMPS-64bit-24Dec2020-MPI.

As per the manual instructions I downloaded mpich2-1.4.1p1… and I
started the installation. The wizard requires:

  1. MS Development Environment, Visual Studio or gcc to compile C/C++ MPI
    programs.
  2. Intel Fortran 8.0 or g77 to compile Fortran MPI programs.

I installed Visual Studio, but I am worried about Intel Fortran 8,0. I
understand it is a very old version, so my questions are: where may I
find it or another version compatible with Lammps? Is Intel Fortran
compatible with my processor (AMD Ryzen Threadripper 3970X 32-Core)?

Sorry for bothering you with these very basic questions, but here I am
with my adventure in parallel processing. Any suggestion would be very
welcome.

you need to download and install the precompiled binary package at: http://www.mpich.org/static/tarballs/1.4.1p1/mpich2-1.4.1p1-win-x86-64.msi
you do not need any development tools for using this package with the LAMMPS installer.

axel.

3

Dear Axel, this package is exactly what I downloaded, happy to know that the tools required by the program as “SYSTEM REQUIREMENTS” are not necessary for Lammps.

Thanks a lot

Paolo Botto

4

Dear Axel, this package is exactly what I downloaded, happy to know that the tools required by the program as “SYSTEM REQUIREMENTS” are not necessary for Lammps.

yeah, the situation is pretty sad: normally, you would not want to use such old software, but it is the only binary package that is compatible with the compilers used to build the binary LAMMPS packages (which are compiled on Linux with a GCC based cross compiler). sadly building/porting MPI to windows seems challenging and neither MPICH nor OpenMPI currently support it officially.

the good news is that windows seems to be pretty good at backward compatibility, so it still seems to be working (despite the quirky installation/configuration).

axel.