[Pw_forum] from matdyn : error # 49

Guntram Schmidt guntram.schmidt at chemie.uni-halle.de
Wed Jul 13 16:47:39 CEST 2011


Dear All,

I'm trying to get QHA working on our clusters.
When I try to run the first example (Al), I get the above error.
I don't know this matdyn - here is the corresponding input-file, created 
by Run_Me:


&input
     amass(1)=26.98,
     asr='crystal',
     flfrc=Al4.fc,
     flfrq='frequency'
&end
  455
        .50000    .50000    .00000   1.00000
...
...
...
        .50000    .04167    .04167   1.00000
        .50000    .00000    .00000   1.00000
EOF


The error message is:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
    0:     from matdyn : error #        49
    0:     reading input namelist
    0: 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
    0:
    0:     stopping ...


I had to start it via our mpi-loadleveler - which shouldn't affect this 
errors, imho.

Any ideas on this?
Thanks,
Guntram



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