AMBER Archive (2006)

Subject: AMBER: Parallel error in Amber 8

From: snoze pa (snoze.pa_at_gmail.com)
Date: Mon Feb 06 2006 - 16:47:19 CST

Hi Amber community.
I am getting following error message when compiling amber with LAM.
Following is the error message.

make[2]: Leaving directory `/amber8/src/lmod'
ifort -FR -o sander trace.o lmod.o decomp.o icosasurf.o egb.o
findmask.opb_force.o
sander.o cshf.o noecalc.o noeread.o caldis.o calrate.o dinten.o drates.o
indexn.o kmat.o pearsn.o plane.o remarc.o nmrcal.o nmrred.o restal.o
getnat.o nmrnrg.o modwt.o disnrg.o angnrg.o tornrg.o nmrprt.o nmrgrp.o
nmrcms.o nmrcmf.o impnum.o nmrsht.o at2res.o chklin.o opnmrg.o printe.o
runmin.o ndvprt.o force.o rdparm.o mdread.o locmem.o runmd.o getcor.o
r6ave.o r6drv.o aveint.o degcnt.o corf.o threeb.o tripl.o nmrrad.o decnvh.o
fastwt.o echoin.o parallel.o jnrg.o shake.o ene.o mdwrit.o minrit.o set.o
setmm.o dynlib.o mdfil.o nmlsrc.o ew_force.o ew_setup.o ew_box.o
ew_bspline.o ew_fft.o ew_direct.o ew_recip.o pcshift.o align.o rstack.o
istack.o rfree.o rgroup.o random.o lsqfit.o amopen.o debug.o ew_recip_reg.o
ew_handle_dips.o ew_dipole_recip.o mexit.o new_time.o extra_pts.o
thermo_int.o matinv.o assert.o mmtsb.o mmtsb_client.o erfcfun.o veclib.o
mdm.o pb_init.o constantph.o prn_dipoles.o \
        ../lmod/lmod.a -L/lam/lib -llammpio -llamf77mpi -lmpi -llam -laio
-laio -lutil -ldl -L/usr/local/inte/mkl/8.0.1//lib/32 -lvml -lmkl_lapack64
-lmkl -lguide -lpthread \
        ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
make[1]: ifort: Command not found
make[1]: *** [sander] Error 127
make[1]: Leaving directory `/amber8/src/sander'
make: *** [parallel] Error 2

I am also sending my config.h file. Anybody can help me to check this file.
Here is the file

#==============================================================================
# AMBER Makefile configuration for compiler/architecture: ifort
# Generated via command: ./configure -lam ifort
#
# Configuration script written mainly by Joe Krahn, Scott Brozell, and
# Dave Case, with contributions from lots of people.
#==============================================================================

#------------------------------------------------------------------------------
# Main AMBER source root directory
#------------------------------------------------------------------------------
AMBER_SRC=/amber8/src

#------------------------------------------------------------------------------
# AMBERBUILDFLAGS provides a hook into the build process for installers;
# for example, to build debug versions of the amber programs
# make -e AMBERBUILDFLAGS="-DDEBUG -g"
#------------------------------------------------------------------------------
AMBERBUILDFLAGS=

#------------------------------------------------------------------------------
# LOCALFLAGS is intended for program specific modifications to the
# Fortran build process and may be modified by the program's local makefile
#------------------------------------------------------------------------------
LOCALFLAGS=

#------------------------------------------------------------------------------
# Availability and method of delivery of math and optional libraries
#------------------------------------------------------------------------------
USE_BLASLIB=$(VENDOR_SUPPLIED)
USE_LAPACKLIB=$(VENDOR_SUPPLIED)
USE_LMODLIB=$(LMOD_UNAVAILABLE)

#------------------------------------------------------------------------------
# C compiler
#------------------------------------------------------------------------------
CC= gcc
CPLUSPLUS=g++
ALTCC=gcc
CFLAGS=-O2 $(AMBERBUILDFLAGS)
ALTCFLAGS= $(AMBERBUILDFLAGS)
CPPFLAGS= $(AMBERBUILDFLAGS)

#------------------------------------------------------------------------------
# Fortran preprocessing and compiler.
# FPPFLAGS holds the main Fortran options, such as whether MPI is used.
#------------------------------------------------------------------------------
FPPFLAGS= -I/lam/include -P -I$(AMBER_SRC)/include -DMPI -DMKL
$(AMBERBUILDFLAGS)
FPP= cpp -traditional $(FPPFLAGS)
FC= /usr/local/intel/fc/9.0/bin/ifort
FFLAGS= -w95 -mp1 -O0 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FOPTFLAGS= -w95 -mp1 -ip -O3 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FPP_PREFIX= _
FREEFORMAT_FLAG= -FR

#------------------------------------------------------------------------------
# Loader:
#------------------------------------------------------------------------------
LOAD= ifort $(LOCALFLAGS) $(AMBERBUILDFLAGS)
LOADCC= gcc $(LOCALFLAGS) $(AMBERBUILDFLAGS)
LOADLIB= -L/lam/lib -llammpio -llamf77mpi -lmpi -llam -laio -laio -lutil
-ldl -L/usr/local/inte/mkl/8.0.1//lib/32 -lvml -lmkl_lapack64 -lmkl -lguide
-lpthread
LOADPTRAJ= ifort -nofor_main $(LOCALFLAGS) $(AMBERBUILDFLAGS)
XHOME= /usr/X11R6

#------------------------------------------------------------------------------
# Other stuff:
#------------------------------------------------------------------------------
.SUFFIXES: .f90
SYSDIR=lib
AR=ar rv
M4=m4
RANLIB=ranlib
SFX=
MAKEDEPEND=$(AMBER_SRC)/../bin/amber_makedepend

# default rules for Fortran and C compilation:

.f.o: $<
        $(FPP) $< > $(FPP_PREFIX)$<
        $(FC) -c $(FFLAGS) -o $@ $(FPP_PREFIX)$<

.f90.o: $<
        $(FPP) $< > $(FPP_PREFIX)$<
        $(FC) -c $(FFLAGS) -o $@ $(FPP_PREFIX)$<

.c.o:
        $(CC) -c $(CFLAGS) $(CPPFLAGS) -o $@ $<

------------------------
any help, thanks in advance

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