AMBER Archive (2006)

Subject: AMBER: parallel installation of amber8 on HP cluster

From: Manish Datt (mdatt_at_imtech.res.in)
Date: Wed Jul 26 2006 - 05:00:30 CDT

hello everybody

i`m trying to install parallel version of amber8 on HP 288 node XC
cluster. after installing the serial version and doing make clean. the
configuration file was made using ./configure -mpi ifort. now on doing
make parallel i`m getting following error

#######################################
[mdatt_at_n288 src]$ make parallel
Starting installation of Amber8 (parallel) at Wed Jul 26 15:12:51 IST
2006.
mkdir ../exe
mkdir: cannot create directory `../exe': File exists
make: [parallel] Error 1 (ignored)
cd sander; make parallel
make[1]: Entering directory `/nfsexportn277/mdatt/amber8/src/sander'
cpp -traditional -P -I/nfsexportn277/mdatt/amber8//src/include -DMPI
trace.f > _trace.f
ifort -c -w95 -mp1 -ip -O3 -FR -o trace.o _trace.f
cpp -traditional -P -I/nfsexportn277/mdatt/amber8//src/include -DMPI
lmod.f > _lmod.f
ifort -c -w95 -mp1 -ip -O3 -FR -o lmod.o _lmod.f
cpp -traditional -P -I/nfsexportn277/mdatt/amber8//src/include -DMPI
decomp.f > _decomp.f
ifort -c -w95 -mp1 -O0 -FR -o decomp.o _decomp.f
cpp -traditional -P -I/nfsexportn277/mdatt/amber8//src/include -DMPI
icosasurf.f > _icosasurf.f
ifort -c -w95 -mp1 -ip -O3 -FR -o icosasurf.o _icosasurf.f
cpp -traditional -P -I/nfsexportn277/mdatt/amber8//src/include -DMPI
egb.f > _egb.f
egb.f:131: mpif.h: No such file or directory
make[1]: *** [egb.o] Error 1
make[1]: Leaving directory `/nfsexportn277/mdatt/amber8/src/sander'
make: *** [parallel] Error 2
###################################

the file mpif.h is there in the folder /opt/hpmpi/include/ which is
there in the path. also the variable $MPICH_HOME has been defined to
/opt/hpmpi/.

i`m totally clueless on how to make it run.
any help would be greatly appreciated.

regards,

Manish Datt
Research Scholar
Bioinformatics Centre
Institute of Microbial Technology
Sector 39A, Chandigarh-160036
India.

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