[CPMD-list] Compiling errors, help!

=?gb2312?B?c2h5bWE=?= shyma at imr.ac.cn
Tue Jan 25 02:17:13 CET 2005


Dear Sir:
     I'm a newer on CPMD. The version of Linux I installed was Redhat 9.0 . I have compiled  a serial CPMD3.9 (the platform I chosen was PC-PGI) executable for an Intel4 processor with the pgf90, but when I tried to compiled a parallel CPMD3.9 with pgf90 (I chosen the PC-PGI-MPI platform), the error such as 
¡° 
rm -f cpmd.f
/lib/cpp -P -C -traditional -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DPARALLEL
-DMP_LIBRARY=__MPI -DMYRINET   /home/shyma/cpmd/P-CPMD-3.9.1/SOURCE/cpmd.F ./cpmd.f
mpif77 -c -fast -I. -I/home/shyma/cpmd/P-CPMD-3.9.1/SOURCE -Mr8 -pc64   ./cpmd.f -o  ./cpmd.o
g77: unrecognized option `-Mr8'
g77: unrecognized option `-pc64'
f771: unrecognized option `-fast'
mpif77: No such file or directory
make: *** [cpmd.o] Error 1    ¡° displayed.

TO find a solution, I change the ¡°Makefile¡±(in fact i didn't understand it clearly) as fellows
"¡­¡­
#
SHELL = /bin/sh
#
#--------------- Default Configuration for pc-pgi-mpi ---------------
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -Mr8 -tp p7  
LFLAGS = -Bstatic -L. -latlas $(QMMM_LIBS)
CFLAGS = 
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DPOINTER8 -D_pgf90\
           -DPARALLEL -DMP_LIBRARY=__MPI -DMYRINET  
NOOPT_FLAG = 
CC = cc
FC = mpipgf90 -c -fast
LD = mpipgf90 -fast
AR = 
#----------------------------------------------------------------------------
  
#----------------------------------------------------------------------------
# Personal Configuration
#----------------------------------------------------------------------------
SRC = /home/shyma/cpmd/P-CPMD-3.9.1/SOURCE
FC = mpipgf90 -c -fast -I. -I$(SRC)
¡±

the problem still exists, the end part of the complied process like this
"¡­¡­
.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  -Bstatic -L. -latlas
/usr/bin/ld: cannot find -laio
make: *** [cpmd.x] Error 2
¡±
so what should I do to settle the problem and complie a parallel CPMD executable. And how change the script or Makefile to suit my computer( RedHat9.0,intel4 and 2.3G, pgi5.2, lam-mpi7.0.6).

I appreciate any help!

Best wishes!

yourse shyma
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