AMBER Archive (2005)

Subject: AMBER: Sander/Mpich2 error with mpd_singinit

From: Joe Nolan (spaceace13666_at_yahoo.com)
Date: Thu Apr 14 2005 - 15:00:09 CDT

Dear Amber community,
    Our installation of Amber8 was set up to work with Mpich2 via:

>./configure -mpich

with MPICH_HOME pointing to the Mpich2 directory. Subsequently the
"make parallel" step was undertaken and all went smoothly. However,
upon attempting to run sander the following error is reported:

>huey# sander -O -i min2.in -o min2.out -p \
>2c9_114mutantCminfix1solvateions_flp.top -c \
>2c9_114mutantCminfix1solvateions_flp.crd -r \
>2c9_114mutantCminfix1solvateions_flp.rst &
>[1] 633
>huey# mpd_singinit: execv failed: No such file or directory

My best guess is that with Mpich2 the "mpd_singinit" command is named
as something else. Any and all help would be greatly appreciated, as
always! - Msgr.E.J.Nolan IV

                
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