[molpro-user] Problems with molpro and MPI
Guilherme Fernandes de Souza Miguel
ak_gfsm at eel.ufu.br
Wed Jan 3 00:50:53 GMT 2007
Dear all,
I am with some problems when i run molpro on my cluster.
I have successfully compiled molpro with MPI,
ARMCI configured for 2 cluster nodes. Network protocol is 'TCP/IP Sockets'.
molecula4 cluster:0 nodes:1 master=0
molecula1 cluster:1 nodes:1 master=1
MPP nodes nproc
molecula4 1
molecula1 1
ga_uses_ma=false, calling ma_init with nominal heap.
GA-space will be limited to 8.0 MW (determined by -G option)
Primary working directories: /tmp/root
Secondary working directories: /tmp/root
CPU=P4 3001.548 MHz
Using default tuning parameters for mkl_p4
MPP tuning parameters: Latency= 0 Microseconds, Broadcast
speed= 0 MB/sec
default implementation of scratch files=ga
***,ftalo
memory,230,m
gprint,basis,orbital;
and, the job runs in one node, but, when i put into two nodes or more,
he gives me this error
Diagonal Coupling coefficients finished. Storage: 80796
words, CPU-Time: 0.01 seconds.
Energy denominators for pairs finished in 0 passes. Storage: 159561
words, CPU-time: 0.00 seconds.
-10000: WARNING:armci_set_mem_offset: offset changed 0 to 1880870912
-10001(s):Segmentation Violation error, status=: 11
1:Child process terminated prematurely, status=: 256
rank 1 in job 1 molecula4_32889 caused collective abort of all ranks
exit status of rank 1: killed by signal 9
Then, i ask, is there any problem with the -G option ?? should i give
more memory to molpro work ???
is there a problem because i´m using the mpich2 ??
i´ll be glad if anyone could help me ,
thanks anyway
--
Att.
Guilherme Fernandes de Souza Miguel
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