AMBER Archive (2000)

Subject: Re: Sander compilation problem on HP

From: jim caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Tue Oct 31 2000 - 13:04:56 CST

We've been running parallel amber6 sucessfully using the attached
MACHINE file on a 4 processor K-class machine.

jim

On Tue, 31 Oct 2000, Scott Boesch wrote:

> Amber users,
>
> I have been trying to get amber6, specifically sander, running
> on an HP N-4000 Complex. I have compiled sander (mpif77) and there
> seemed to be no error. However, when I try to execute the problem
> I get the following
>
> Rank 0:MPI_Bcast: Invalid datatype: Datatype has not been committed
>
>
> Is anyone familiar with MPI_Bcast or has anyone seen this error before?
>
> Thanks for the help,
>
> Scott
> -------------------
> Scott E. Boesch Voice: 405-325-3502
> Department of Chemistry Fax: 405-325-6111
> University of Oklahoma
>
>

----------------------------------------------------------------------------
James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue (video) farbauti.compchem.ucsf.edu
University of California (netmeeting)
San Francisco, CA 94143-0446
----------------------------------------------------------------------------
#! /bin/csh -f
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# Machine Dependency Handling System #
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# An extension of work of George Seibel #
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# Dependencies written by various authors. #
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########################################################################

#
# Copy this file to $AMBERHOME/src/MACHINE to install.
#
# This file is appropriate for HP f77
#
# These aliases let us use the same command files for compilation
# on Unix systems with different names and/or flags for the fortran
# compiler. Environment variables set here specify the location
# of system-specific source and control the use of Integer*2.
# See install.doc: "Setting Up the Configuration File"
#

setenv MACHINE "HP UX"
# HP recognizes cray style C$DIR compiler directives
setenv MACH HP

setenv MACHINEFLAGS " -DCLINK_PLAIN -DMEM_ALLOC -DMPI"

# CPP is the cpp for this machine
setenv CPP /lib/cpp
setenv CC "cc -Ae "

# SYSDIR is the name of the system-specific source directory relative to src/*/
setenv SYSDIR Machines/hp

# COMPILER ALIASES:

# LOADER/LINKER:
setenv LOAD "mpif77 +T "
setenv LOADLIB " -lvec -lm "

# little or no optimization:
setenv L0 "mpif77 -c -g +T +E4"

# standard optimization :
setenv L1 "mpif77 -c -O +T +E4"

# about the same as L1
setenv L2 "mpif77 -c +O3 +Ovectorize +T +E4"

# highest optimization
setenv L3 "mpif77 -c +O3 +Ovectorize +T +E4"

# ranlib, if it exists
setenv RANLIB "echo ranlib not needed"