Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.
Moderators: Global Moderator, Moderator
- Posts: 3
- Joined: Tue Apr 12, 2016 2:06 am
- License Nr.: 5-2346
Dear VASP Team,
I'm trying to compile VASP 6.3.2 with uncommented line 361 in linear_optics.f (it enables to print WAVEDERF file). I get the following error:
Code: Select all
linear_optics.F(2122): error #6580: Name in only-list does not exist or is not accessible. [DETERMINEDOSWITHWEIGHT]
USE tet, ONLY: determineDOSWithWeight
I didn't modify neither tet.f file, nor any other source files.
Compilation of VASP 5.4.4 with similar modification of linear_optics.f suceeded.
I would be grateful for your help with this issue.
- Global Moderator
- Posts: 299
- Joined: Mon Nov 04, 2019 12:44 pm
I tried to compile with your suggested change and it worked for me. I tried both gnu fortran with open mpi and intel fortran with intel mpi.
Here are the versions I used:
Fortran - 11.2.0
MPI - Open MPI 4.1.2
Fortran - Oneapi 2022.0.1
MPI - Oneapi 2021.5.0
Please try these versions for compilation.
- Posts: 190
- Joined: Mon Sep 24, 2018 9:39 am
Sometimes it is helpful to do a "make veryclean" before "make std gam ncl".
Also, did you change any other source files?
I am asking because vasp-6.2.1 is the last version that contains the routine determineDOSWithWeight.