Amber 6.0 on Linux Cluster

From: C. Singer <>
Date: Sat 10 Nov 2001 09:34:27 -0800 (PST)

hi all,

running Mpich on an i686 PC cluster w/RedHat, interested in finding out
about a couple things in the Machine.g77_mpich file:

1) for setting the MACHINEFLAGS, the default settings are:


after reading the 0README.parallel file, it is suggested that the flags
-DMPI_NATIVE and -I/path_to_mpich_mpif.h also be added.

the question i have is this: in addition to these flags, what sort of
success have others had in using other flags (e.g. Ewald specific flags
such as -DEWALD, etc. ?). optimization under gcc? expanding functionality
of AMBER... ?

2) still curious about the line:

        setenv MPICH_LIB mpich

does the value "mpich" need to be customized for my system? what should it
be? the previous line,

        setenv MPICH_LIBDIR $MPICH_HOME/lib

declares the mpich library, so it is not clear what this MPICH_LIB
variable is actually referring to.

gratefully yours,
Received on Sat Nov 10 2001 - 09:34:27 PST
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