[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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