uninitialised variables

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


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roger_amos1
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Joined: Wed Nov 20, 2019 10:24 pm

uninitialised variables

#1 Post by roger_amos1 » Wed Sep 23, 2020 4:03 am

VASP5 had a very large number of variables that were used without being assigned an initial value.
There are fewer in VASP6, so someone has been correcting them, which is good. However there are still a few, so this list might be of interest.
"xclib.f90", line 909: 'S' is used but never set.
"xclib.f90", line 984: 'S' is used but never set.
"xclib.f90", line 1059: 'S' is used but never set.
"xclib.f90", line 1134: 'S' is used but never set.
"dfast.f90", line 610: 'LBOTH' is used but never set.
"rhfatm.f90", line 3557: 'N' is used but never set.
"subrot.f90", line 705: 'NSIM_LOCAL' is used but never set.
"wnpr.f90", line 186: 'N' is used but never set.
"screened_2e.f90", line 1021: 'IFAIL' is used but never set.
"fcidump.f90", line 966: 'ISP' is used but never set.
"rpax.f90", line 2924: 'ND' is used but never set.
"rpax.f90", line 2924: 'NA' is used but never set.
"rpax.f90", line 2924: 'KQ_' is used but never set.
"chi.f90", line 2251: 'ICOUEV' is used but never set.
"chi.f90", line 2251: 'DESUM1' is used but never set.
"chi.f90", line 2251: 'RMS' is used but never set.
"acfdt_GG.f90", line 1181: 'COMM_INOMEGA' is used but never set.

Some of these are unimportant as they occur in code which is only activated as part of an error check, but others have the potential to produce incorrect results

merzuk.kaltak
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Joined: Mon Sep 24, 2018 9:39 am

Re: uninitialised variables

#2 Post by merzuk.kaltak » Wed Sep 23, 2020 7:36 am

Hello,
Thank you for pointing this out.
We will take a look at it.

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