vdwforcefield.F compilation error

Message

imcnab · #1 Post by **imcnab** » Mon Dec 13, 2010 10:53 pm

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

alex · #2 Post by **alex** » Tue Dec 14, 2010 3:09 pm

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

Hth

alex

daniele · #3 Post by **daniele** » Tue Dec 14, 2010 3:22 pm

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

daniele · #4 Post by **daniele** » Tue Dec 14, 2010 3:25 pm

uuuppps!

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

cheers,

Daniele

imcnab · #5 Post by **imcnab** » Tue Dec 14, 2010 3:35 pm

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