Dear Siesta developers/users:
I tried to compile the trunk branch (746 revisions). However, although I
compiled the code successfully as a serial version, the compilation with MPI
does not work, reporting the following errors at the last step (linking obj
files into the executables):
fsockets.o: In function `__f90sockets_MOD_readbuffer_dv':
fsockets.f90:(.text+0x23): undefined reference to `readbuffer'
fsockets.o: In function `__f90sockets_MOD_readbuffer_s':
fsockets.f90:(.text+0x89): undefined reference to `readbuffer'
fsockets.f90:(.text+0xef): undefined reference to `readbuffer'
fsockets.o: In function `__f90sockets_MOD_readbuffer_i':
fsockets.f90:(.text+0x125): undefined reference to `readbuffer'
fsockets.o: In function `__f90sockets_MOD_readbuffer_d':
fsockets.f90:(.text+0x155): undefined reference to `readbuffer'
fsockets.o: In function `__f90sockets_MOD_writebuffer_dv':
fsockets.f90:(.text+0x183): undefined reference to `writebuffer'
fsockets.o: In function `__f90sockets_MOD_writebuffer_s':
fsockets.f90:(.text+0x1fc): undefined reference to `writebuffer'
fsockets.f90:(.text+0x221): undefined reference to `writebuffer'
fsockets.o: In function `__f90sockets_MOD_writebuffer_i':
fsockets.f90:(.text+0x257): undefined reference to `writebuffer'
fsockets.o: In function `__f90sockets_MOD_writebuffer_d':
fsockets.f90:(.text+0x27b): undefined reference to `writebuffer'
fsockets.o: In function `__f90sockets_MOD_create_socket':
fsockets.f90:(.text+0x38f): undefined reference to `create_socket'
fsockets.o: In function `__f90sockets_MOD_open_socket':
fsockets.f90:(.text+0x41f): undefined reference to `open_socket'
fsockets.o: In function `__f90sockets_MOD_close_socket':
fsockets.f90:(.text+0x1): undefined reference to `close_socket'
collect2: error: ld returned 1 exit status
I wonder if you could help me to identify the problem? I am using intelmpi
(g++/gfortran) and my arch.make file is as follows:
.SUFFIXES:
.SUFFIXES: .f .F .o .c .a .f90 .F90
SIESTA_ARCH = x86-64
CC = g++
FPP = $(FC) -E -P
FC = mpif90
FC_SERIAL = gfortran
FFLAGS = -O2 -fPIC
AR = ar
RANLIB = ranlib
SYS = nag
SP_KIND = 4
DP_KIND = 8
KINDS = $(SP_KIND) $(DP_KIND)
LDFLAGS =
#COMP_LIBS = libsiestaLAPACK.a libsiestaBLAS.a
FPPFLAGS = $(DEFS_PREFIX)-DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT #
LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_lapack95_lp64
-lmkl_intel_lp64 \
-lmkl_intel_thread -lmkl_core -liomp5 -lm -lpthread
# SIESTA needs an F90 interface to MPI
MPI_INTERFACE = libmpi_f90.a
MPI_INCLUDE = .
# Dependency rules ---------
FFLAGS_DEBUG = -g -O1 # your appropriate flags here...
# The atom.f code is very vulnerable. Particularly the Intel compiler
# will make an erroneous compilation of atom.f with high optimization
# levels.
atom.o: atom.F
$(FC) -c $(FFLAGS_DEBUG) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<
.c.o:
$(CC) -c $(CFLAGS) $(INCFLAGS) $(CPPFLAGS) $<
.F.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $<
.F90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<
.f.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $<
.f90.o:
$(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $<
Thank you very much!
Best,
Zhiping
