[molpro-user] PBS execution problems

[Andy May]

René,

This looks as though there is a problem communicating between nodes. Can 
you rsh between the nodes without password? If rsh is not available you 
can use option '--tcgssh' to use ssh instead.

Try also running with -v option. This will print out exactly how Molpro 
is trying to be run (and the generated hostfile). You can then try to 
run this directly to see if you can trace the error.

Best wishes,

Andy

On 29/08/12 15:17, Kanters, Rene wrote:
> 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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