Hello, I’ve been trying to build the new version of LAMMPS (the 12Feb orig. release) using a makefile that worked previously for a build of the 9Mar06 version, but I’ve been getting the following error
angle_charmm.o(.text+0xcaa): In function LAMMPS_NS::AngleCharmm::read_restart(_IO_FILE*)': : undefined reference to MPI_Bcast’
angle_charmm.o(.text+0xcca): In function LAMMPS_NS::AngleCharmm::read_restart(_IO_FILE*)': : undefined reference to MPI_Bcast’
angle_charmm.o(.text+0xcea): In function LAMMPS_NS::AngleCharmm::read_restart(_IO_FILE*)': : undefined reference to MPI_Bcast’
angle_charmm.o(.text+0xd0a): In function LAMMPS_NS::AngleCharmm::read_restart(_IO_FILE*)': : undefined reference to MPI_Bcast’
angle_cosine.o(.text+0x83b): In function LAMMPS_NS::AngleCosine::read_restart(_IO_FILE*)': : undefined reference to MPI_Bcast’
angle_cosine_squared.o(.text+0x988): more undefined references to MPI_Bcast' follow atom.o(.text+0x10f8): In function LAMMPS_NS:
:tag_extend()’:
: undefined reference to `MPI_Allreduce’
…etc, followed by:
make[1]: *** […/lmp_jedi] Error 1
make[1]: Leaving directory `/net/hc281/gte203p/lammpsnew/lammps-12Feb07/src/Obj_jedi’
make: *** [jedi] Error 2
I’m wondering if it’s related to the fact that the libmpi.a file isn’t in the net/hj1/ihpcl/i586rh-4AS/mpich-1.2.5.2/lib path specified in the makefile. I’m not finding it in the directories above either. I do see libmpich.a, libpmpich.a and other similar files, but shouldn’t the “-lmpich” link to one of these?
The makefile looks like this:
jedi = RedHat Linux box, Intel icpc, MPICH, no FFTW
SHELL = /bin/sh
#.IGNORE:
System-specific settings
CC = icpc
CCFLAGS = -O2 -I/net/hj1/ihpcl/i586rh-4AS/mpich-1.2.5.2/include \
-DFFT_NONE -DGZIP
DEPFLAGS = -M
LINK = icpc
LINKFLAGS = -O2 -static -L/net/hj1/ihpcl/i586rh-4AS/mpich-1.2.5.2/lib -lmpich
USRLIB =
SYSLIB =
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
Thanks…any advice whatsoever is much appreciated…
Kevin