possible bug in scala.F

Problems running VASP: crashes, internal errors, "wrong" results.


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sergey_lisenkov1
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possible bug in scala.F

#1 Post by sergey_lisenkov1 » Tue Feb 22, 2022 1:38 am

Gfortran complains to the following line (#1420) in scala.F:

#ifdef ELPA
! call ELPA 2-stage solver
IF (ELPA) THEN
....

1420 | IF (ELPA) THEN
| 1
Error: IF clause at (1) requires a scalar LOGICAL expression

I believe it should be "LELPA" instead of "ELPA". Am I correct?

Intel compiler does not complain, btw.

Related question - is it recommended to use ELPA in vasp 6.3 or not? I don't see that ELPA mentions anywhere except one makefile in arch/

Sergey

ferenc_karsai
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Re: possible bug in scala.F

#2 Post by ferenc_karsai » Tue Mar 01, 2022 6:08 am

Thank you very much for pointing that out. That indeed is a bug and we are going to incorporate the fix.
Why it didn't pop up is because there is a precompiler macro ELPA that is most likely interpreted as an integer in a boolean context.
The intel compiler is usually not very strict so it accepts it.

It is recommended to use ELPA in VASP 6.3. The NEC machines for example ELPA seems to perform very well.

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