AMBER 5.0 MPI and IBM RS6000

From: John Trent <jotren01_at_gwise.louisville.edu>
Date: Fri 04 Feb 2000 13:05:36 -0500

Hi,
I am trying to install AMBER 5.0 on an IBM RS6000 (112 processors).
Without MPI the code compiles fine with the standard Machine.rs6000 file
and runs on a single processor.

I installed mpich-1.2.0 and compiled it and tried to compile sander
again with the Machine.rs6000.mpich file (modified file is attached).
I'm sure my modified machine file is incorrect.

When I try to compile sander (the only module I need at the moment) I
get a strange _sander_.f file (below) not like the usually formated
_file_.f files.

8;.*^E..8<patchlevel.h.o8=attr.h8>binding.h8?mpi_error.h8_at_mpi.h8Ampi_errno.h8Bmp
icoll.h8Cmpidefs.h.in8Dmpidmpi.h8Empif.f908Fmpif.h.in8Gmpifort.h8Hmpiops.h8Impii
mpl.h8Jmpiprof.h8Kmpipt2pt.h8Lprotofix.h8Mpatchlevel.h8Nptrcvt.h8Osbcnst.h8Psend
q.h9M-^Jmpio.h*^Kmpidefs.h*
mpif.h9M-^Nmpichconf.h9M-^Ompichconf.h.inP^?f90choic
e.^Pf9
0base

and the following error

1506-155 (W) Option I requires suboption(s).
"_sander_.f", line 0.1: 1515-018 (S) Incorrect character found in
source at line
 0 in column 1. Hexadecimal value of character is 00.
"_sander_.f", line 0.1: 1515-019 (S) Syntax is incorrect.
........... for every character, obviously not liking the unformated
_sander_.f file

What suboptions do I need?

Any assistance from anyone that has compiled parallel sander on an
RS6000 would be greatly appreciated, a correct machine file would be
great.

Many thanks fi you can help

Regards
John



John O. Trent Ph.D.
J.G. Brown Cancer Center
Dept of Medicine/ Division of Hematology/Oncology
University of Louisville
Suite 323
529 South Jackson St
Louisville, KY 40202
Phone (502)852-2194
Fax (502)852-2195
Email jotren01_at_gwise.louisville.edu


Attachment Converted: "c:\eudora\attach\MACHINE"
Received on Fri Feb 04 2000 - 10:05:36 PST
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