Dear All,
I cannot compile vdwforcefield.F with IBM mpxlf90 (IBM power6 cluster, called SciNet).
I am building vasp.5.2.11 on SciNet using a Makefile provided by Prof. WA Hofer.
The pre-bug fixed version of 5.2.11 builds and runs
The new version of vdwforcefield.F hits a compiler error as follows:
mpxlf90 -qfree=f90 -qmaxmem=-1 -qarch=auto -qtune=auto -qcache=auto -qinitauto -qcheck -qsave=all -O3 -qarch=auto -qstrict -c vdwforcefield.f
"vdwforcefield.f", line 97.50: 1516-083 (S) All elements in an array constructor must have the same type and type parameters.
** vdwforcefield === End of Compilation 1 ===
1501-511 Compilation failed for file vdwforcefield.f.
changing the optimization level does not help this compile.
All help gratefully received.
best regards... Iain
vdwforcefield.F compilation error
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vdwforcefield.F compilation error
Last edited by imcnab on Mon Dec 13, 2010 10:53 pm, edited 1 time in total.
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vdwforcefield.F compilation error
Maybe the "kind" is not well transferred. Try to add _q to some of your variables in question.
Hth
alex
Hth
alex
Last edited by alex on Tue Dec 14, 2010 3:09 pm, edited 1 time in total.
vdwforcefield.F compilation error
Hi Iain,
the buxfix is just a bug itself
I just mailed to vasp developers.
go to line 99 in vdwforcefield.F and change:
... 'In','Sn','Sb','Te','I ','Xe','X'/)
for:
... 'In','Sn','Sb','Te','I ','Xe','X '/)
i.e. just add a space after the "X".
cheers,
Daniele Stradi
Ph.D student
CAMPUS group
Universidad Autonoma de Madrid
the buxfix is just a bug itself
I just mailed to vasp developers.
go to line 99 in vdwforcefield.F and change:
... 'In','Sn','Sb','Te','I ','Xe','X'/)
for:
... 'In','Sn','Sb','Te','I ','Xe','X '/)
i.e. just add a space after the "X".
cheers,
Daniele Stradi
Ph.D student
CAMPUS group
Universidad Autonoma de Madrid
Last edited by daniele on Tue Dec 14, 2010 3:22 pm, edited 1 time in total.
vdwforcefield.F compilation error
uuuppps!
sorry it line 97 in vdwforcefield.F, not 99.
cheers,
Daniele
sorry it line 97 in vdwforcefield.F, not 99.
cheers,
Daniele
Last edited by daniele on Tue Dec 14, 2010 3:25 pm, edited 1 time in total.
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vdwforcefield.F compilation error
Dear Daniele,
you are an absolute STAR. Thankyou. My vasp now builds.
best ... Iain
you are an absolute STAR. Thankyou. My vasp now builds.
best ... Iain
Last edited by imcnab on Tue Dec 14, 2010 3:35 pm, edited 1 time in total.