hello siesta user,
i am using siesta2.0 in aix parallel machine.......
i able to compile siesta sussesfully, but when i try to compile the vibra
package then the following error comes.....
mpxlf -c -I../../../Src fcbuild.f
"fcbuild.f", line 29.11: 1514-267 (S) The current program unit has a different
setting for the -q64 option than was specified in the module fdf. Unexpected
errors may result.
"fcbuild.f", 1516-036 (S) Entity fdf_physical has undefined type.
"fcbuild.f", 1516-036 (S) Entity fdf_block has undefined type.
"fcbuild.f", 1516-036 (S) Entity fdf_string has undefined type.
"fcbuild.f", 1516-036 (S) Entity fdf_integer has undefined type.
** fcbuild === End of Compilation 1 ===
1501-511 Compilation failed for file fcbuild.f.
make: *** [fcbuild.o] Error 1
how can i compile vibra ...
please help me
---------------------------------
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# This file is part of the SIESTA package.
#
# Copyright (c) Fundacion General Universidad Autonoma de Madrid:
# E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal
# and J.M.Soler, 1996-2006.
#
# Use of this software constitutes agreement with the full conditions
# given in the SIESTA license, as signed by all legitimate users.
#
.SUFFIXES:
.SUFFIXES: .f .F .o .a .f90 .F90
SIESTA_ARCH=powerpc-ibm-aix5.2.0.0--Xlf
FPP=
FPP_OUTPUT=
FC=mpxlf95
RANLIB=ranlib
SYS=xlf
SP_KIND=1
DP_KIND=8
KINDS=$(SP_KIND) $(DP_KIND)
FFLAGS= -O3 -qarch=auto -qtune=auto -qcache=auto -q64 -qfixed -qnolm -qzerosize
-qstrict -qmaxmem=-1
FPPFLAGS= -WF,-DMPI -WF,-DFC_HAVE_ABORT
LDFLAGS=-q64 -bmaxdata:0x8000000000
ARFLAGS_EXTRA=-X64
FCFLAGS_fixed_f=
FCFLAGS_free_f90=-qsuffix=f=f90 -qfree=f90
FPPFLAGS_fixed_F=
FPPFLAGS_free_F90=-qsuffix=f=F90 -qfree=F90
COMP_LIBS=dc_lapack.a liblapack.a libblas.a
LIBS= -lessl -lblas \
/afs/enea.it/fra/user/rakshit/aix/libs/BLACS/LIB/blacsF77init_MPI-SP4-0.a \
/afs/enea.it/fra/user/rakshit/aix/libs/BLACS/LIB/blacsCinit_MPI-SP4-0.a \
/afs/enea.it/fra/user/rakshit/aix/libs/BLACS/LIB/blacs_MPI-SP4-0.a \
/afs/enea.it/fra/user/rakshit/aix/libs/scalapack-1.7.5/libscalapack.a \
/usr/lpp/ppe.poe/lib/libmpi.a \
-qnolm
#LIBS= -L/afs/enea.it/fra/user/rakshit/aix/libs/ATLAS/lib/AIX_POWER4_32
-llapack -lcblas -lf77blas -lptcblas -lptf77blas -latlas \
#LIBS= -L/afs/enea.it/fra/user/rakshit/aix/libs/ATLAS/lib/AIX_POWER4_32
-llapack -lcblas -lf77blas -lptcblas -lptf77blas -latlas \
#SIESTA needs an F90 interface to MPI
#This will give you SIESTA's own implementation
#If your compiler vendor offers an alternative, you may change
#to it here.
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=/usr/lpp/ppe.poe/include
#Dependency rules are created by autoconf according to whether
#discrete preprocessing is necessary or not.
.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) $<
