[Wien] no parallel running in lapw2
Shu Miao
shu at caltech.edu
Thu Sep 14 10:28:57 CEST 2006
Dear wien users
I am going to do DOS. The scf converges well in parallel calculation. But
when I execute x lapw2 -p -qtl, I see the process only running as
lapw2.def on the master node. The job is not distributed to other nodes.
After a while, it gives a error message
++++++++++++++++++++++++++++
PGFIO-F-231/formatted read/unit=1002/error on data conversion.
File name = ./fp.help032 formatted, sequential access record = 5044
In source file outp.f, at line number 181
48.6u 0.3s 1:39.23 49.3% 0+0k 0+0io 0pf+0w
++++++++++++++++++++++++++++
I find "******" on line 5044 in fp.help032 at Band#316 with E=3.52866.
Ghost band? I check the case.help_x03x files and don't have ghost band at
all. The TiC example runs well. I guess this may caused by some
unreasonable parameters in my case. But have no idea which can be? Can
anyone help to figure out what probably happen?
Thanks
Shu Miao
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