[molpro-user] parallel UCCSD error: ? Field YZMAT not defined in mpp_state=2

[Jiahao Chen]

Hi all,

I encountered an error message while trying to run a UCCSD job in
parallel with 2 cores (-n2):

 GLOBAL ERROR fehler on processor   1
Last System Error Message from Task 1:: Invalid argument
1:1:fehler:: 38
(rank:1 hostname:fire-10-03.cluster pid:9923):ARMCI DASSERT fail.
src/common/armci.c:ARMCI_Error():208 cond:0
  1: ARMCI aborting 38 (0x26).
  1: ARMCI aborting 38 (0x26).
system error message: Invalid argument
 iprocs=                     0   mpp_state=                     2   ifield=
                     0   iadd=                     0
 ? Error
 ? Field YZMAT not defined in mpp_state=2
 ? The problem occurs in add_mpptim

The error occurs with the linux x6_64 mpp binary release of 2012.1.
I've attached the full output file.

The same job appears to run normally in serial (-n1). Is the UCCSD
code not designed to run in parallel?

Thanks,

 · Jiahao Chen · MIT Chemistry ·
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