[molpro-user] molpro job running problem

Andy May MayAJ1 at cardiff.ac.uk
Wed Aug 24 22:26:27 BST 2011


Chanchal,

Can you confirm that:

1. Both machines are the same architecture.

2. The same Molpro binary is installed on both machines in the same 
location.

3. The input can be run in serial on both machines.

4. You can rsh between the machines without password.

5. Your licence covers running on multiple machines.

If all of the above is true, please can you send the output when using 
'-v' option, and all generated output files.

Best wishes,

Andy

On 24/08/11 16:16, chanchal haldar wrote:
> Dear Sir,
> I have faced the given problem below while running molpro job parallely
> to master(cluster) and one of the compute node
> (compute-0-2)
>
> [molpro at cluster ~]$ molpro -N cluster:1,compute-0-2:1 full-cal-mrci.molpro
> tmp =
> /export/home/molpro/pdir//export/molpro/bin/molprop_2010_1_Linux_x86_64_i8.exe.p
>   Creating: host=cluster, user=molpro,
>             file=/export/molpro/bin/molprop_2010_1_Linux_x86_64_i8.exe,
> port=33434
> /export/molpro/bin/molprop_2010_1_Linux_x86_64_i8.exe, len=53
> full-cal-mrci.molpro, len=20
>     -master, len=7
> cluster.hpc.org <http://cluster.hpc.org/>, len=15
>       33434, len=5
>           2, len=1
>           2, len=1
>           0, len=1
>           0, len=1
>   Creating: host=compute-0-2, user=molpro,
>             file=/export/molpro/bin/molprop_2010_1_Linux_x86_64_i8.exe,
> port=56305
> /export/molpro/bin/molprop_2010_1_Linux_x86_64_i8.exe, len=53
> full-cal-mrci.molpro, len=20
>     -master, len=7
> cluster.hpc.org <http://cluster.hpc.org/>, len=15
>       56305, len=5
>           2, len=1
>           2, len=1
>           1, len=1
>           1, len=1
> ARMCI configured for 2 cluster nodes. Network protocol is 'TCP/IP Sockets'.
> forrtl: severe (64): input conversion error, unit -5, file Internal
> Formatted Read
> Image              PC                Routine            Line        Source
> molprop_2010_1_Li  0000000003046F3A  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000003045AB5  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000002F72B46  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000002F06EE5  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000002F066A1  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000002F29BEB  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000002F282B0  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000499510  Unknown               Unknown  Unknown
> molprop_2010_1_Li  00000000004989DE  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000496B5D  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000495909  Unknown               Unknown  Unknown
> molprop_2010_1_Li  000000000048CA13  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000486DD6  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000400397  Unknown               Unknown  Unknown
> molprop_2010_1_Li  000000000040033C  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000003059649  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000400209  Unknown               Unknown  Unknown
>
> --
> Thanks & Regards
> Chanchal Kumar Haldar
> B.E (Electronics and Telecommunication)
> Linux System Administrator.



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