AMBER Archive (2004)

Subject: AMBER: Problems with amber8 and pgf90

From: Marc Perea (marc.perea_at_uab.es)
Date: Thu Jul 15 2004 - 05:30:36 CDT

Dear Amber Users,

I'm having a problem running amber8 compiled with PGI Fortran 90
compiler, does anybody know what could be the problem ?

I'm running amber with the following command line :

$ /opt/soft/amber8-pgf90/exe/sander -O -i opd.sander -o opd.sanderout -p
opd.top -c opd.coor -r opd.rst -inf opd.info -ref opd.refc -x opd.mdcrd
-v opd.mdvel -e opd.mden

After 1-2 seconds it produces the following output to stderr and exits :

PGFIO-F-231/formatted read/unit=8/error on data
conversion. File name = opd.top formatted, sequential access record
= 88216 In source file _rdparm.f, at line number 1286

Please find attached my input file opd.sander in case it may help.

Thanks in advance.

Regards 

-- 
Computational Medicine Laboratory, Bioestatistics Dept.
Universitat Autonoma de Barcelona, http://lmc.uab.es
Tel : (+34) 93 581 38 12
Fax : (+34) 93 581 23 44
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