[CPMD-list] Problem when compiling CPMD-3.9.1
Bin Pan
binpan at MIT.EDU
Fri Nov 5 01:02:27 CET 2004
Dear CPMD fans,
I am a new user and am meeting a problem when compiling CPMD. The important
part of Makefile (PC-PGI-MPI) is:
SRC = .
DEST = .
BIN = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS = -L. -lmm
FFLAGS = -I/opt/mpich-gnu/include -Mr8 -pc64
LFLAGS = -L/opt/mpich-gnu/lib -lmpi -llapack -lblas $(QMMM_LIBS)
CFLAGS =
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT \
-DPARALLEL -DMP_LIBRARY=__MPI -DMYRINET
NOOPT_FLAG =
CC = cc
FC = pgf90 -c -fast
LD = pgf90 -fast
AR =
And the problem is:
..........................
coninp.o mm_cpmd_add_MM_forces_f77.o mm_cpmd_esp_charges_f77.o
mm_cpmd_ext_pot_f77.o mm_mddiag.o mm_forces_diag.o mm_rho_forcedr.o vdwin.o
vdw.o bs_forces_diag.o bswfo.o lsforce.o setbsstate.o
wrccfl.o sysdepend.o -L/opt/mpich-gnu/lib -lmpi -llapack -lblas
my_para.o(.text+0x1c): In function `my_start_':
: undefined reference to `mpi_init_'
my_para.o(.text+0x1136): In function `my_end_':
: undefined reference to `mpi_finalize_'
.............................................
All errors appear in my_para.o. How to solve this problem and thank you so
much in advance!
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