Message-ID:	<XFMail.020808143553.bohne@spec.inet.dkfz-heidelberg.de>
X-Mailer:	XFMail 1.3 [p0] on IRIX
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MIME-Version:	1.0
Date:	Thu, 08 Aug 2002 14:35:53 +0200 (CEST)
Organization:	German Cancer Research Center
Sender:	bohne AT zsindy DOT inet DOT dkfz-heidelberg DOT de
From:	Andreas Bohne <a DOT bohne AT dkfz-heidelberg DOT de>
To:	pgcc AT delorie DOT com, a DOT bohne AT dkfz-heidelberg DOT de
Subject:	bug? in pg77
Reply-To:	pgcc AT delorie DOT com

Hi,

we are working in science I wanted to run a molecular dynamic simulation. It is
a free software called Tinker and it is written in Fortran 77.

I did run some benchmarks and now look:

g77:
real    63m41.531s
user    63m25.240s
sys     0m4.730s



pg77:

real    922m12.183s !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
user    917m50.840s
sys     0m54.250s


For compiling I did use :
CC="pg77"
OPTI="-O3 -funroll-all-loops -ffast-math -march=i686 -mcpu=i686 "


You can download the software with my testing scripts at:
http://www.dkfz-heidelberg.de/spec/outgoing/tinker39_pg77.tgz 


Any idea?


Bye Andreas



----------------------------------------------------------------------------
system:

pg77 --version
GNU Fortran 0.5.25 19991024 (release)
Copyright (C) 1997 Free Software Foundation, Inc.

pgcc-2.95.2



dual:

processor       : 1
vendor_id       : GenuineIntel
cpu family      : 6
model           : 11
model name      : Intel(R) Pentium(R) III CPU family      1400MHz
stepping        : 1
cpu MHz         : 1396.496
cache size      : 512 KB
fdiv_bug        : no
hlt_bug         : no
f00f_bug        : no
coma_bug        : no
fpu             : yes
fpu_exception   : yes
cpuid level     : 2
wp              : yes
flags           : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov
pat pse36 mmx fxsr sse
bogomips        : 2791.83

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