Error while running the infiniband version.

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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