[molpro-user] PBS execution problems

[Kanters, Rene]

Hi,

I installed the distributed binary version of molpro Version 2010.1 on a system that uses PBS.

When I ssh to a node and run the molpro script, it works fine, but when I submit it in the queue I get the following error in the .oxxxx file and not molpro output file is generated.

Warning: no access to tty (Bad file descriptor).
Thus no job control in this shell.
forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read
Image              PC                Routine            Line        Source
molpro.exe         0000000003593F0A  Unknown               Unknown  Unknown
molpro.exe         0000000003592A85  Unknown               Unknown  Unknown
molpro.exe         00000000034C0296  Unknown               Unknown  Unknown
molpro.exe         00000000034565F5  Unknown               Unknown  Unknown
molpro.exe         0000000003455DB1  Unknown               Unknown  Unknown
molpro.exe         000000000347929B  Unknown               Unknown  Unknown
molpro.exe         0000000003477960  Unknown               Unknown  Unknown
molpro.exe         0000000000486A54  Unknown               Unknown  Unknown
molpro.exe         0000000000484186  Unknown               Unknown  Unknown
molpro.exe         00000000004824ED  Unknown               Unknown  Unknown
molpro.exe         0000000000403B51  Unknown               Unknown  Unknown
molpro.exe         0000000000400535  Unknown               Unknown  Unknown
molpro.exe         00000000004004DC  Unknown               Unknown  Unknown
molpro.exe         00000000035A6679  Unknown               Unknown  Unknown
molpro.exe         00000000004003A9  Unknown               Unknown  Unknown
tmp = /home/rkanters/pdir//usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe.p
 Creating: host=inode17, user=rkanters,
           file=/usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe, port=54616
  1: interrupt(1)
WaitAll: No children or error in wait?

When, in the PBS submission script, I unset the PBS_NODEFILE environment variable, things work again (but I am limited to running on a single node).

Any ideas as to what am I doing wrong?

Thanks.
René
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