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

[Hans-Joachim Werner]

For the time being please remove "print,cpu". We will fix the bug as soon as possible
Joachim Werner
-- 
Prof. Dr. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 64400
Fax.: (0049) 711 / 685 64442
e-mail: werner at theochem.uni-stuttgart.de




Am 31.01.2013 um 16:50 schrieb Jiahao Chen <jiahao at mit.edu>:

> 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 ·
> <test4-molpro-n2.out.bz2>_______________________________________________
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