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open unit problem
#22823 11/18/09 05:25 PM
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FranciT Offline OP
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hi everybody i have a big problem regarding the charmm installation.
I always run c31b1 on my mac and i've installed on fedora core 6 in the past this charmm version and it always run.
but today I re-installed c31b1 on FC 6 and charmm give me some problems. I mean it works but when i run some script it didn't open any kind of unit..it said that :
CHARMM> !Read the RTF and parameter files
CHARMM> OPEN READ UNIT 11 CARD NAME param.prm
VOPEN> Attempting to open::parbna.prm::
OPNLGU> Unit 11 cannot be opened as PARAM.PRM

and the privileges on that file are rwx so...
someone can help me???

Re: open unit problem
FranciT #22824 11/18/09 06:56 PM
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rmv Online Content
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The different name reported by VOPEN is odd ...

Note that c31b1 is not very 64-bit aware, so you might get odd results compiling on an x86_64 Linux machine unless you explicitly modify Makefile_gnu to force 32-bit mode via the -m32 compiler argument. You must also have the appropriate 32-bit compatibility software installed.


Rick Venable
computational chemist

Re: open unit problem
rmv #22830 11/19/09 01:06 PM
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Most likely the case of the file name is important - it is converted to upper case unless enclosed in quotes. This is a very old behaviour in CHARMM.

Re: open unit problem
bogdan #22835 11/19/09 06:39 PM
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rmv Online Content
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Actually, both all upper and all lower case are tried; only mixed case names require the double quote char (").


Rick Venable
computational chemist

Re: open unit problem
rmv #22936 12/02/09 02:34 PM
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FranciT Offline OP
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thank you for your advices.
best


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