My Community

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

Maybe the "kind" is not well transferred. Try to add _q to some of your variables in question.

Hth

alex

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

uuuppps!

sorry it line 97 in vdwforcefield.F, not 99.

cheers,

Daniele

Dear Daniele,
you are an absolute STAR. Thankyou. My vasp now builds.
best ... Iain