From: Shubhra Ghosh Dastidar (sgducd_at_gmail.com)
Date: Wed Jun 12 2013 - 07:52:36 CDT
I have compiled namd for infiniband and while running minimization I get
the following error:
ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR: minimize
My namd configuration file has the following line:
minimize 500
The same happens for the heating etc. and the error changes to
ERROR: The following variables were set in the
ERROR: configuration file but are NOT VALID
ERROR: run
as in the input file the entry is:
run 10000
The same input file has run with the multicore version (precompiled,
downloaded) without any problem. I suspect either something wrong with the
compilation or there is a different format for the namd configuration file
for the infiniband version.
Please let me know if anyone has encountered and resolved similar issues.
Thanks.
-- Dr. Shubhra Ghosh Dastidar Assistant Professor Centre of Excellence in Bioinformatics Bose Institute P-1/12 C.I.T. Scheme VII-M, Kolkata 700 054, India Phone: +91-33-23554766, Ext. 332, Fax: +91-33-2355 3886 Web: http://www.boseinst.ernet.in/bic/fac/shubhra/
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