Soryy, but my first message was segmented:
Hello,
I am trying to install a qauntum chemistry program (Dalton) with LAM-MPI under PelicanHPC. PelicanHPC has both LAM-MPI as well as OpenMPI. I have chosen LAM-MPI due to lack of clear documentation of OpenMPI, and because LAM-MPI environment is the default on PelicanHPC.
So, I have the following outputs:
user_at_pelican:~$ mpif77 -c foo.c
user_at_pelican:~$ mpif77 -show
gfortran -I/usr/lib/lam/include -pthread -L/usr/lib/lam/lib -llammpio
-llamf77mpi -lmpi -llam -lutil -ldl
user_at_pelican:~$ mpicc -show
gcc -I/usr/lib/lam/include -pthread -L/usr/lib/lam/lib -llammpio -llamf77mpi
-lmpi -llam -lutil -ldl
Therefore, my Makefile.config is:
ARCH = linux
#
#
CPPFLAGS = -DVAR_G77 -DSYS_LINUX -DVAR_MFDS -D'INSTALL_WRKMEM=100000000' -D'INSTALL_BASDIR="/mnt/sda8/home/dan/Daltonsubpelican/dalton-2.0/basis/"' -DVAR_MPI -DIMPLICIT_NONE
F77 = mpif77
CC = mpicc
RM = rm -f
FFLAGS = -march=x86-64 -O3 -ffast-math -fexpensive-optimizations -funroll-loops -fno-range-check -fsecond-underscore
SAFEFFLAGS = -march=x86-64 -O3 -ffast-math -fexpensive-optimizations -funroll-loops -fno-range-check -fsecond-underscore
CFLAGS = -march=x86-64 -O3 -ffast-math -fexpensive-optimizations -funroll-loops -std=c99 -DRESTRICT=restrict
INCLUDES = -I../include
LIBS = -L/usr/lib -llapack -lblas
INSTALLDIR = /mnt/sda8/home/dalton-2.0/bin
PDPACK_EXTRAS = linpack.o eispack.o
GP_EXTRAS =
AR = ar
ARFLAGS = rvs
# flags for ftnchek on Dalton /hjaaj
CHEKFLAGS = -nopure -nopretty -nocommon -nousage -noarray -notruncation -quiet -noargumants -arguments=number -usage=var-unitialized
# -usage=var-unitialized:arg-const-modified:arg-alias
# -usage=var-unitialized:var-set-unused:arg-unused:arg-const-modified:arg-alias
#
default : linuxparallel.x
#
# Parallel initialization
#
MPI_INCLUDE_DIR = -I/usr/lib/lam/include
MPI_LIB_PATH = -L/usr/lib/lam/lib
MPI_LIB = -lmpi
#
#
# Suffix rules
# hjaaj Oct 04: .g is a "cheat" suffix, for debugging.
# 'make x.g' will create x.o from x.F or x.c with -g debug flag set.
#
..SUFFIXES : .F .o .c .i .g
..F.o:
$(F77) $(INCLUDES) $(CPPFLAGS) $(FFLAGS) -c $*.F
..F.g:
$(F77) $(INCLUDES) $(CPPFLAGS) $(FFLAGS) -g -c $*.F
..c.o:
$(CC) $(INCLUDES) $(CPPFLAGS) $(CFLAGS) -c $*.c
..c.g:
$(CC) $(INCLUDES) $(CPPFLAGS) $(CFLAGS) -g -c $*.c
..F.i:
$(F77) $(INCLUDES) $(CPPFLAGS) -E $*.F > $*.i
and the errors are:
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