AMBER Archive (2008)

Subject: AMBER: problem bull linux compiling

From: Yannick Monclin (yannick.monclin_at_univ-reims.fr)
Date: Fri Feb 22 2008 - 05:22:49 CST

hi,

All was ok on last Linux bull platform (BAS) but now, whith the new os
update, we have a error message when i launch 'make parallel' (make
serial is ok):

.....
                   qm_div.o force.o \
        ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
        ../lib/nxtsec.o ../lib/sys.a ../netcdf/lib/libnetcdf.a
/opt/intel/cmkl/9.1.023/lib/64/libmkl_lapack.a
/opt/intel/cmkl/9.1.023/lib/64/libmkl_ipf.a
-L/opt/intel/cmkl/9.1.023/lib/64 -lvml -lmkl_lapack64 -lmkl -lguide
-lpthread -Wl,-zmuldefs -lutil -lrt
/opt/intel/fc/10.1.008/lib/for_main.o(.text+0x42): In function `main':
: undefined reference to `MAIN__'
make[1]: *** [sander.MPI] Erreur 1
make[1]: Leaving directory `/opt/amber9/src/sander'
make: *** [parallel] Erreur 2

any idea ?

more information:

config.h :

#------------------------------------------------------------------------------
# C compiler
#------------------------------------------------------------------------------
CC= mpicc
CPLUSPLUS= mpic++
CFLAGS= -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -O2
CPPFLAGS= -DBINTRAJ -I../netcdf/include $(AMBERBUILDFLAGS)

#------------------------------------------------------------------------------
# Fortran preprocessing and compiler.
# FPPFLAGS holds the main Fortran options, such as whether MPI is used.
#------------------------------------------------------------------------------
FPPFLAGS= -P -DMPI -DBINTRAJ $(AMBERBUILDFLAGS)
FPP= icpc -traditional $(FPPFLAGS)
FC= mpif90
FFLAGS= -w95 -ftz -O2 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FOPTFLAGS= -w95 -ftz -O3 -IPF_fma -IPF_fp_relaxed -ip $(LOCALFLAGS)
$(AMBERBUILDFLAGS)
FREEFORMAT_FLAG= -FR

#------------------------------------------------------------------------------
# Loader:
#------------------------------------------------------------------------------
LOAD= mpif90 -i-static $(LOCALFLAGS) $(AMBERBUILDFLAGS)
LOADCC= mpicc -i-static $(LOCALFLAGS) $(AMBERBUILDFLAGS)
LOADLIB= /opt/intel/cmkl/9.1.023/lib/64/libmkl_lapack.a
/opt/intel/cmkl/9.1.023/lib/64/libmkl_ipf.a
-L/opt/intel/cmkl/9.1.023/lib/64 -lvml -lmkl_lapack64 -lmkl -lguide
-lpthread -Wl,-zmuldefs -lutil -lrt
#LOADLIB= -lmpi
LM= -lm
LOADPTRAJ= mpif90 -i-static -nofor_main $(LOCALFLAGS) $(AMBERBUILDFLAGS)
XHOME= /usr/X11R6
XLIBS= -L/usr/X11R6/lib

OS :

2.6.18-B64k.1.12 #1 SMP Wed Jun 20 14:36:45 CEST 2007 ia64 ia64 ia64
GNU/Linux
Bull Linux AS4 V5.1 (based on Redhat)

Thanks in advance,

Yannick Monclin
University Reims (France)

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu