[AMBER] mpirun

From: leila karami <karami.leila1.gmail.com>
Date: Wed, 16 Nov 2011 14:42:39 +0330

Dear Jason, Case and Sudeep

thanks for your attentions.

_________________________________________________________________________
in my system, cpuinfo is as below:

processor : 0
vendor_id : GenuineIntel
cpu family : 6
model : 15
model name : Intel(R) Core(TM)2 CPU 4300 . 1.80GHz
stepping : 2
cpu MHz : 1200.000
cache size : 2048 KB
physical id : 0
siblings : 2
core id : 0
cpu cores : 2
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca
cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm syscall nx lm
constant_tsc pni monitor ds_cpl est tm2 cx16 xtpr lahf_lm
bogomips : 3613.59
clflush size : 64
cache_alignment : 64
address sizes : 36 bits physical, 48 bits virtual
power management:

processor : 1
vendor_id : GenuineIntel
cpu family : 6
model : 15
model name : Intel(R) Core(TM)2 CPU 4300 . 1.80GHz
stepping : 2
cpu MHz : 1200.000
cache size : 2048 KB
physical id : 0
siblings : 2
core id : 1
*cpu cores : 2*
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca
cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm syscall nx lm
constant_tsc pni monitor ds_cpl est tm2 cx16 xtpr lahf_lm
bogomips : 3610.97
clflush size : 64
cache_alignment : 64
address sizes : 36 bits physical, 48 bits virtual
power management:
______________________________________________________________________________________

Can I use mpirun -np 2 $AMBERHOME/exe/sander.MPI -ng 2 -groupfile
model_step1.group?

_________________________________________________________________________________________

Dear Jason

when I use $AMBERHOME/exe/lamboot

LAM 7.1.3 - Indiana University

when I use $AMBERHOME/exe/mpirun -np 2 $AMBERHOME/exe/sander.MPI -ng 2
-groupfile model_step1.group

It seems that there is no lamd running on the host localhost.localdomain.

This indicates that the LAM/MPI runtime environment is not operating.
The LAM/MPI runtime environment is necessary for the "mpirun" command.

Please run the "lamboot" command the start the LAM/MPI runtime
environment. See the LAM/MPI documentation for how to invoke
"lamboot" across multiple machines.
______________________________________________________________________________________________

Dear Case

Is $AMBERHOME/bin in your PATH?

when I use vi .bash_profile

# .bash_profile

# Get the aliases and functions
if [ -f ~/.bashrc ]; then
        . ~/.bashrc
fi

# User specific environment and startup programs

PATH=$PATH:$HOME/bin
export AMBERHOME=/home/karami/amber10

export PATH
____________________________________________________________________________________________________

Dear Sudeep

when I use which mpd
/usr/bin/which: no mpd in
(/usr/kerberos/bin:/usr/local/bin:/bin:/usr/bin:/home/karami/bin)

when I use which mpirun
/usr/local/bin/mpirun


when I use locate mpirun
/home/karami/amber10/bin/mpirun
/home/karami/amber10/man/man1/mpirun.1
/home/karami/amber10/src/lam-7.1.3/man/man1/mpirun.1
/home/karami/amber10/src/lam-7.1.3/otb/mpirun
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/.deps
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/.libs
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/Makefile
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/Makefile.am
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/Makefile.in
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/mpirun
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/mpirun.c
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/mpirun.o
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/totalview.c
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/totalview.o
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/.deps/mpirun.Po
/home/karami/amber10/src/lam-7.1.3/otb/mpirun/.deps/totalview.Po
/opt/intel/idb/10.1.015/bin/mpirun_dbg.idb
/opt/intel/idb/10.1.015/doc/idb_manual/lin/idb_using_mpirun_dbg_idb_startup_file.htm
/opt/intel/idbe/10.1.015/bin/mpirun_dbg.idb
/opt/intel/idbe/10.1.015/doc/idb_manual/lin/idb_using_mpirun_dbg_idb_startup_file.htm
/usr/lib/lam/bin/mpirun
/usr/lib/lam/man/man1/mpirun.1.gz
/usr/lib64/lam/bin/mpirun
/usr/lib64/lam/man/man1/mpirun.1
/usr/local/bin/mpirun
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Received on Wed Nov 16 2011 - 03:30:03 PST
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