[Pw_forum] Compile Hitachi

[WANG Yuan Xu]

Dear Paolo Giannozzi,

	Compile on Hitachi is still not successful. I do not define -D_shmem in make.sys. But it still compile it, the shmem_include.f90.

 I use "./configure.old hitachi"   get make.sys and then change some content. 
 Another the file "Modules/.dependences" is from above command. I am not sure if it is correct. My Hitachi is SR11000 and it is different hitachi sr8000.
 Could you help me to find some reason?

make.sys:
# System-dependent definitions for Hitachi SR8000
# contributed by Noejung Park
#
# Use precompiled fftw library (version <= 2.1.5, NOT v.3!)
#
# In this case, specify also  how to load the fftw library (FFTW_LIB)
# and the path to the fftw.h include file (FFTW_INC_DIR). Example:
 FFTW_LIB=-L/home/araimasa/src/fftw-2.1.5/fftw/.libs -lfftw
 FFTW_INC_DIR=/home/araimasa/fftw-2.1.5/fftw
# CPPFLAGS = -DHITACHI -D__PARA -D__MPI -D__FFTW

# Use the local copy of fftw

CPPFLAGS = -D_HITACHI  -D__PARA -D__MPI -D__FFTW -D__USE_INTERNAL_FFTW 
#
# Fortran compiler:
#
F90 = mpif90_r 
F77 = f90 -hf77
CC = mpicc_r
FFLAGS = -free 
#FFLAGS = -O4 -32 -noparallel -precexp=basic -conti199 -nosaveallocate \
#         -I$(OSHOME)/include -I/usr/mpi/include
F77FLAGS = $(FFLAGS)
F90FLAGS = $(FFLAGS) $(CPPFLAGS)
#CCFLAGS = -D__FFTW -I$(FFTW_INC_DIR)
#
# This is needed to tell the compiler where modules are
#
MODULEFLAG = -I$(OSHOME)/Modules -I$(OSHOME)/PW/ -I$(OSHOME)/PH/ 
#
# Libraries:
MYLIB = lapack_ibm 
LAPACKdir = /usr/local/lib
#MPIdir = /opt/hitachi/matmpp/lib/
MPIdir = /usr/include/
LIBS= -L$(LAPACKdir) -llapack -lblas -lmpi\
      -L$(MPIdir)  -lfmpi -lmpi $(FFTW_LIB) -lm

# 
LD=$(F90)
LDFLAGS = $(OSHOME)/flib/ptools.a $(OSHOME)/flib/flib.a $(OSHOME)/clib/clib.a $(LIBS)
#
# ar:
#
AR = ar
ARFLAGS = rv
RANLIB         = echo

 make.rules
 .SUFFIXES : .o .c .f .f90

.f90.o:
	$(F90) $(F90FLAGS) $(MODULEFLAG) -c $<

.f.o:
	$(F77) $(F77FLAGS) -c $<

.c.o:
	$(CC) $(CCFLAGS) -c $<
 

Best 
WANG Yuan Xu
National Institute for Materials Science
Computational Materials Science Center
Namiki 1-1, Tsukuba 305-0044, Japan
Phone +81-29-8513354-8092; Fax +81-29-8541207
wang.yuanxu at nims.go.jp
2004-10-15


======= 2004-09-30 20:18:45 you wrote=======

>On Thursday 30 September 2004 07:55, WANG Yuan Xu wrote:
>
>> I use the Ba pseudo file from PWscf web site.  And O an Ti was
>> Ti.vdb.UPF and O.vdb.UPF
>>
>> I get the error information "from readpp # 2  inconsistent DFT read"
>
>for PWscf, the exchange-correlation used in the calculation is read from
>the PP files, and it must be the same in all PP's (of course). One can
>edit the PP files and modify the exch-corr field, but it is not a good idea.
>
>Note that FPMD uses a different approach: you have to write the exch-corr 
>you want in the input data (variable "xc_type" in namelist &system)
>
>Does PWscf work now on the Hitachi machine, by the way?
>
>Paolo
>-- 
>Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
>Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
>Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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>

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