Re: AMBER: Parallel error in Amber 8

From: snoze pa <snoze.pa.gmail.com>
Date: Mon, 6 Feb 2006 18:02:22 -0500

After changing the script little more I am getting following final error
message.

make[2]: Leaving directory `/amber8/src/lmod'
o sander trace.o lmod.o decomp.o icosasurf.o egb.o findmask.o pb_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]: o: Command not found
make[1]: [sander] Error 127 (ignored)
o sander.LES trace.o lmod.o decomp.o icosasurf.o egb.LES.o findmask.opb_force.o
sander.LES.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.LES.o nmrred.LES.o restal.o
getnat.o nmrnrg.o modwt.LES.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.LES.o rdparm.LES.o mdread.LES.o locmem.LES.o
runmd.LES.o getcor.o r6ave.LES.o r6drv.o aveint.o degcnt.LES.o corf.o
threeb.o tripl.o nmrrad.o decnvh.o fastwt.o echoin.o parallel.LES.o
jnrg.LES.o shake.o ene.LES.o mdwrit.o minrit.o set.o setmm.o dynlib.LES.o
mdfil.o nmlsrc.o ew_force.LES.o ew_setup.o ew_box.o ew_bspline.o ew_fft.o
ew_direct.LES.o ew_recip.LES.o pcshift.o align.o rstack.o istack.o rfree.o
rgroup.o random.o lsqfit.o amopen.o egb_les.LES.o debug.o ew_recip_reg.o
ew_handle_dips.o ew_dipole_recip.o mexit.o new_time.o extra_pts.LES.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]: o: Command not found
make[1]: [sander.LES] Error 127 (ignored)
/bin/mv sander sander.LES ../../exe
/bin/mv: cannot stat `sander': No such file or directory
/bin/mv: cannot stat `sander.LES': No such file or directory
make[1]: *** [parallel] Error 1
make[1]: Leaving directory `/amber8/src/sander'
make: *** [parallel] Error 2

Any Help. why I am not able to compile sander
thanks in advance
snoze

On 2/6/06, snoze pa <snoze.pa.gmail.com> wrote:
>
> 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.o pb_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.oew_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.onew_time.o extra_pts.o thermo_int.o
> matinv.o assert.o mmtsb.o mmtsb_client.o erfcfun.o veclib.o mdm.opb_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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Received on Tue Feb 07 2006 - 06:10:08 PST
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