AMBER Archive (2004)

Subject: Re: AMBER: Compiling Amber 8

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Mon Apr 12 2004 - 08:53:29 CDT

Dear John,

it looks like your intel compilers are not configured properly. I
suggest to look at the linux page on amber web site
(http://amber.scripps.edu/cluster_info/index.html) and read through the
compilation section. It should help to get you started...

-Viktor

Beale, John wrote:

>I have been trying to compile Amber 8 on a Pentium 4 system with the Redhat Linux 9 operating system. Let me begin by stating that Amber 7 compiled "out of the box" on this machine and works fine. Every time I execute the "make serial" command in the Amber 8 installation instructions this is what happens:
>
>[jbeale_at_PS3030 src]$ ./configure -p4 ifort
>AMBERHOME is set to /home/jbeale/amber8
>Setting up Amber configuration file for architecture: ifort
>Using parallel communications library: none
>The MKL_HOME environment variable is not defined.
> The MKL is recommended for optimal performance.
>
>The configuration file, config.h, was successfully created.
>
>[jbeale_at_PS3030 src]$ make serial
>Starting installation of Amber8 (serial) at Mon Apr 12 08:25:30 CDT 2004.
>mkdir ../exe
>mkdir: cannot create directory `../exe': File exists
>make: [serial] Error 1 (ignored)
>cd lib; make install
>make[1]: Entering directory `/home/jbeale/amber8/src/lib'
>cpp -traditional -P -I/home/jbeale/amber8/src/include new2oldparm.f > _new2oldparm.f
>ifort -c -w95 -tpp7 -mp1 -O0 -o new2oldparm.o _new2oldparm.f
>make[1]: ifort: Command not found
>make[1]: *** [new2oldparm.o] Error 127
>make[1]: Leaving directory `/home/jbeale/amber8/src/lib'
>make: *** [serial] Error 2
>
>Can anyone help me understand what is going on here and suggest a fix? Thanks!
>
>John Beale
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-- 
=====================
Viktor Hornak
SUNY at Stony Brook
=====================

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