Subject: Re: CCL:PowerMac as computational workstation

From: [email-masked] (Martin Hargreaves)
Date: Sat, 6 Jan 1996 15:59:39 -0000

[email-masked] (Toni Kazic) writes:

>Perhaps I missed this in the current thread, but do the Unix FORTRAN
>compilers run on PCs running Linux, and does this combination provide the
>performance expected from the raw numbers?

f2c (a FORTRAN to C converter) and gcc do a pretty seamless job of compiling
a lot of FORTRAN code. I've built a few packages from source on Linux (PSI88
and some MD code), I've also used MOPAC and GAMESS binaries on Linux which
seem to work fine. I haven't looked at the numbers but from memory MOPAC on
Linux was _much_ faster than MOPAC for DOS (I got both from the OSC FTP
site). I'd highly recommend the OS/2 version of MOPAC ported at Cracow. It
appeared to run slightly faster than the Linux version and had a nicer
interface/better documentation.

I never had the disk space to do anything serious with GAMESS... :-(

Regards,

        Martin.

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# Martin Hargreaves                          [email-masked] #
# Unix systems/security consultant                                #
# Computational Chemist      http://www.chem.surrey.ac.uk/~ch11mh #
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