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Superconducting Toolkit


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Revision48f9f8570a07da35c1ce965f1d54a882bfa08105 (tree)
Time2020-10-31 20:45:06
Authorgiannozz <paolo.giannozzi@uniu...>
Commitergiannozz

Log Message

Merge branch 'checkbands' into 'develop'

Check for esotic cases: number of bands shouldn't exceed number of PWs

See merge request QEF/q-e!1175

Change Summary

Incremental Difference

--- a/PW/src/memory_report.f90
+++ b/PW/src/memory_report.f90
@@ -415,6 +415,10 @@ SUBROUTINE memory_report()
415415 IF ( totram .ge. GB ) WRITE( stdout, 1012 ) totram/GB, ' GB'
416416 END IF
417417 !
418+ ! check: more bands than plane waves? not good
419+ !
420+ IF ( npwx_g < nbndx ) CALL errore('memory_report','more bands than PWs!',1)
421+ !
418422 1010 format (/5x,'Estimated static dynamical RAM per process > ', F10.2, A3)
419423 1011 format (/5x,'Estimated max dynamical RAM per process > ', F10.2, A3)
420424 1012 format (/5x,'Estimated total dynamical RAM > ', F10.2, A3)