Install VASP 6.2.1 on Debian 11

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

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peter_vancso2
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Install VASP 6.2.1 on Debian 11

#1 Post by peter_vancso2 » Tue Nov 02, 2021 3:36 pm

Dear All,

I have tried to install the VASP 6.2.1 on the new Debian version 11. After the installation of the necessary libraries for VASP (LAPACK, SCALAPACK, OpenMPI and FFTW) and using the standard makefile.include.linux.gnu, I have received the following error message:

/usr/bin/ld: cannot find -lblacs-openmpi
/usr/bin/ld: cannot find -lblacsCinit-openmpi
/usr/bin/ld: cannot find -lblacsF77init-openmpi
/usr/bin/ld: cannot find -lstdc++
collect2: error: ld returned 1 exit status

It seems that it cannot find libraries, which has already installed. Does anybody have the same problem with the Debian 11? (Previous Debian versions works well)

Thank you in advance!

martin.schlipf
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Re: Install VASP 6.2.1 on Debian 11

#2 Post by martin.schlipf » Mon Dec 13, 2021 3:26 pm

Sorry for the late reply; somehow I missed your post when you posted it.

Did you manage to compile VASP in the end? From the error message it seems that your problem seems to be with your library setup. Can you check whether the LD_LIBRARY_PATH includes the path to your installation of the BLACS library?

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