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Posted: **Wed Dec 07, 2022 1:11 pm**

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.

Tomasz

Posted: **Fri Dec 09, 2022 1:58 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:

Gnu:
Fortran - 11.2.0
MPI - Open MPI 4.1.2

Intel:
Fortran - Oneapi 2022.0.1
MPI - Oneapi 2021.5.0

Please try these versions for compilation.

Posted: **Fri Dec 09, 2022 3:04 pm**

Dear Tomasz,

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.

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VASP 6.3.2 with modified linear_optics.f - compilation error

VASP 6.3.2 with modified linear_optics.f - compilation error

Re: VASP 6.3.2 with modified linear_optics.f - compilation error

Re: VASP 6.3.2 with modified linear_optics.f - compilation error