[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!




More information about the CPMD-list mailing list