AMBER Archive (2004)

Subject: Re: AMBER: PMEMD

From: Robert Duke (rduke_at_email.unc.edu)
Date: Fri Sep 17 2004 - 11:56:01 CDT

Greg -
The page http://amber.scripps.edu/ifc8_info.html from the amber website
should help get you going on this. It looks to me, though like your first
problem is that you have not set up the fortran compiler environment by
executing ifortvars.csh in your .login (if you use csh/tcsh) or ifortvars.sh
in .profile or whatever for bash/sh, etc.
Regards - Bob Duke

----- Original Message -----
From: "Greg Kellogg" <kellogg_at_wayne.edu>
To: <amber_at_scripps.edu>
Sent: Friday, September 17, 2004 12:20 PM
Subject: AMBER: PMEMD

> I have a problem installing the PMEMD on my Red Hat 9 Intel
> P4. I have installed the Intel Fortran Compiler 8.0. I have
> mapped my Machine file to the Machine.ifc_p4 machine file and
> upon attempting to install the application I receive the
> following error message.
>
> [root_at_sambaserver src.pmemd]# make install
> mkdir ../exe
> mkdir: cannot create directory `../exe': File exists
> make: [install] Error 1 (ignored)
> cd pmemd; make install
> make[1]: Entering directory `/usr/local/amber7/src.pmemd/pmemd'
> ../Compile L3 -P gbl_datatypes.f90
> cat gbl_datatypes.f90 | /lib/cpp -traditional -P -DLinux
> -DREGNML -DINTEL_P4_VECT_OPT -DSHORT=INTEGER(2)
> -DLOGICAL_BYTE=LOGICAL(1) > _gbl_datatypes_.f90
> ifc -c -auto -tpp7 -xW -mp1 -ip -O3 _gbl_datatypes_.f90
> ifc: Command not found.
> make[1]: *** [gbl_datatypes.o] Error 1
> make[1]: Leaving directory `/usr/local/amber7/src.pmemd/pmemd'
> make: *** [install] Error 2
>
> Does anyone know what I"m doing wrong?
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