[molpro-user] FciMCPar.F90(305): error #8178:
Aristotle Papakondylis
papakondylis at chem.uoa.gr
Fri Mar 21 11:29:55 GMT 2014
Dear Molproers
trying to install molpro2012.1.11 I stumbled upon the problem given below.
Any help would be appreciated. CONFIG file is also attached. Please note
that
the last installed version molpro2012.1.4 worked fine.
Thanks
Aristotle
------------------
$(FC) -c $(FFLAGS) $(F90FLAGS) -O2 FciMCPar.F90
FciMCPar.F90(305): error #8178: The procedure pointer and the procedure
target must have matching arguments.
ge_tmp => generate_excitation
----------------^
FciMCPar.F90(306): error #8178: The procedure pointer and the procedure
target must have matching arguments.
gs_tmp => get_spawn_helement
----------------^
FciMCPar.F90(307): error #8178: The procedure pointer and the procedure
target must have matching arguments.
ad_tmp => attempt_die
----------------^
FciMCPar.F90(317): error #8178: The procedure pointer and the procedure
target must have matching arguments.
generate_excitation => ge_tmp
----------------^
FciMCPar.F90(318): error #8178: The procedure pointer and the procedure
target must have matching arguments.
get_spawn_helement => gs_tmp
----------------^
FciMCPar.F90(319): error #8178: The procedure pointer and the procedure
target must have matching arguments.
attempt_die => ad_tmp
----------------^
FciMCPar.F90(1718): error #8178: The procedure pointer and the procedure
target must have matching arguments.
attempt_create => attempt_create_trunc_spawn
----------------^
FciMCPar.F90(1720): error #8178: The procedure pointer and the procedure
target must have matching arguments.
attempt_create => att_create_trunc_spawn_enc
----------------^
FciMCPar.F90(1723): error #8178: The procedure pointer and the procedure
target must have matching arguments.
attempt_create => attempt_create_normal
------------^
FciMCPar.F90(1750): error #8178: The procedure pointer and the procedure
target must have matching arguments.
encode_child => null_encode_child
------------^
FciMCPar.F90(1769): error #8178: The procedure pointer and the procedure
target must have matching arguments.
new_child_stats => new_child_stats_hist_hamil
------------^
FciMCPar.F90(1771): error #8178: The procedure pointer and the procedure
target must have matching arguments.
new_child_stats => new_child_stats_normal
------------^
FciMCPar.F90(1774): error #8178: The procedure pointer and the procedure
target must have matching arguments.
attempt_die => attempt_die_normal
--------^
FciMCPar.F90(4129): warning #8089: Parentheses around an I/O list is an
extension to Standard F2003.
(AllHFCyc / StepsSft), & ! 24.
--------------------------^
FciMCPar.F90(4130): warning #8089: Parentheses around an I/O list is an
extension to Standard F2003.
(AllENumCyc / StepsSft), & ! 25.
----------------------------^
FciMCPar.F90(4146): warning #8089: Parentheses around an I/O list is an
extension to Standard F2003.
(tot_trial_numerator / StepsSft), & ! 40.
-----------------------------------------^
FciMCPar.F90(4147): warning #8089: Parentheses around an I/O list is an
extension to Standard F2003.
(tot_trial_denom / StepsSft), & ! 41.
-------------------------------------^
FciMCPar.F90(4166): warning #8089: Parentheses around an I/O list is an
extension to Standard F2003.
(tot_trial_numerator/tot_trial_denom)
----------------------------------------^
FciMCPar.F90(8419): error #7002: Error in opening the compiled module
file. Check INCLUDE paths. [FCIMCPARMOD]
use FciMCParMod, only: DeallocFCIMCMemPar, SetupParameters, &
--------^
FciMCPar.F90(8435): error #6406: Conflicting attributes or multiple
declaration of name. [IOUT]
WRITE(iout,"(A)") "*** Changing the reference determinant ***"
----------^
FciMCPar.F90(8435): warning #6187: Fortran 2003 requires an INTEGER data
type in this context. [IOUT]
WRITE(iout,"(A)") "*** Changing the reference determinant ***"
----------^
FciMCPar.F90(8436): error #6406: Conflicting attributes or multiple
declaration of name. [IOUT]
WRITE(iout,"(A)") "Switching reference and zeroing energy counters
- restarting simulation"
----------^
FciMCPar.F90(8436): warning #6187: Fortran 2003 requires an INTEGER data
type in this context. [IOUT]
WRITE(iout,"(A)") "Switching reference and zeroing energy counters
- restarting simulation"
----------^
FciMCPar.F90(8440): error #6406: Conflicting attributes or multiple
declaration of name. [DEALLOCFCIMCMEMPAR]
CALL DeallocFCIMCMemPar()
---------^
FciMCPar.F90(8447): error #6406: Conflicting attributes or multiple
declaration of name. [SETUPPARAMETERS]
CALL SetupParameters()
---------^
FciMCPar.F90(8448): error #6406: Conflicting attributes or multiple
declaration of name. [INITFCIMCCALCPAR]
CALL InitFCIMCCalcPar()
---------^
FciMCPar.F90(8419): error #6580: Name in only-list does not exist.
[DEALLOCFCIMCMEMPAR]
use FciMCParMod, only: DeallocFCIMCMemPar, SetupParameters, &
---------------------------^
FciMCPar.F90(8419): error #6580: Name in only-list does not exist.
[SETUPPARAMETERS]
use FciMCParMod, only: DeallocFCIMCMemPar, SetupParameters, &
-----------------------------------------------^
FciMCPar.F90(8420): error #6580: Name in only-list does not exist.
[INITFCIMCCALCPAR]
InitFCIMCCalcPar, iout
---------------------------^
FciMCPar.F90(8420): error #6580: Name in only-list does not exist. [IOUT]
InitFCIMCCalcPar, iout
---------------------------------------------^
compilation aborted for FciMCPar.F90 (code 1)
make[3]: *** [FciMCPar.o] Error 1
--
_________________________________
Aristotle Papakondylis
Assistant Professor
Physical Chemistry Laboratory
Department of Chemistry
University of Athens
Panepistimiopolis Zografou
157 71 Athens, Greece
Phone:(+30210)7274565
Fax: (+30210)7274752
e-mail: papakondylis at chem.uoa.gr
_________________________________
-------------- next part --------------
# MOLPRO CONFIG generated at Fri Mar 21 11:51:46 EET 2014, for host nodeib_01, SHA1=9a5d268be97265f18c756e65aa7d05a68209a29b
CONFIGURE_OPTIONS="-mpp" "-mppbase" "/home/soft/ga-5-2" "-noboost" "-var" "PREFIX=/home/soft/molpro2012.1.11" "-var" "INSTBIN=/home/soft/molpro2012.1.11/bin"
AR=ar
ARCHNAME=Linux/ia64
ARFLAGS=-rS
AWK=awk
BIBTEX=
BLASLIB=-L/opt/intel/Compiler/11.1/059/mkl/lib/64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core
BUILD=p
CAT=cat
CC=/usr/bin/gcc
CCVERSION=4.1.1
CC_FRONT=
CDEBUG=-g $(addprefix $(CDEFINE),_DEBUG)
CDEFINE=-D
CFLAGS=-Wcast-align -Wcast-qual -Wchar-subscripts -Wcomment -Wdeclaration-after-statement -Wformat -Wimplicit -Wimplicit-function-declaration -Wimplicit-int -Wmain -Wmissing-braces -Wmultichar -Wnested-externs -Wparentheses -Wpointer-arith -Wreturn-type -Wsequence-point -Wsign-compare -Wswitch -Wtrigraphs -Wunknown-pragmas -Wunused-function -Wunused-label -Wunused-value -Wunused-variable -Wwrite-strings -pedantic -Wno-long-long -I/home/soft/mpich2-1-5/include
CLDFLAGS=
CLEAN=echo 'target clean only available with git cloned versions, please unpack the tarball again'
CMPPINCLUDE=/home/soft/ga-5-2/include
COPT=-O3
COPT0=-O0
COPT1=-O1
COPT2=-O2
COPT3=-O3
CP=cp -p
CPROFILE=-p
CUDACC=
CUDACCVERSION=
CUDACDEBUG=-g $(addprefix $(CUDACDEFINE),_DEBUG)
CUDACDEFINE=-D
CUDACFLAGS=
CUDACOPT=
CUDACOPT0=-O0
CUDACOPT1=-O1
CUDACOPT2=-O2
CUDACOPT3=-O3
CUDACPROFILE=-p
CXX=/usr/bin/g++
CXXFLAGS=$(filter-out -Wdeclaration-after-statement -Wimplicit -Wimplicit-function-declaration -Wimplicit-int -Wmain -Wnested-externs -Wpointer-sign,$(CFLAGS))
DOXYGEN=/usr/bin/doxygen
ECHO=/bin/echo
EXPORT=export
F90FLAGS=-stand f03 -diag-disable 5268
FC=/opt/intel/Compiler/11.1/059/bin/ia64/ifort
FCVERSION=11.1
FDEBUG=-g $(addprefix $(FDEFINE),_DEBUG)
FDEFINE=-D
FFLAGS=-i8 -r8 -auto -Vaxlib -WB -ftz -align -cxxlib
FLDFLAGS=
FOPT=-O2
FOPT0=-O0
FOPT1=-O1
FOPT2=-O2
FOPT3=-O3
FPROFILE=-p
FSTATIC=
HOSTFILE_FORMAT=%N
INSTALL_FILES_EXTRA=
INSTBIN=/home/soft/molpro2012.1.11/bin
INST_PL=0
INTEGER=8
LAPACKLIB=
LATEX2HTML=
LAUNCHER=/home/soft/mpich2-1-5/bin/mpiexec -machinefile %h -np %n %x
LD_ENV=/opt/intel/Compiler/11.1/059/mkl/lib/64
LD_ENVNAME=LD_LIBRARY_PATH
LIBRARY_SUFFIX=a
LIBS=-lrt
LN=ln -s
MACROS=MOLPRO NDEBUG MOLPRO_f2003 GA_MPI _I8_ MOLPRO_INT=8 BLAS_INT=8 LAPACK_INT=8 MOLPRO_AIMS MOLPRO_NECI _MOLCAS_MPP_ MOLPRO_BLAS MOLPRO_LAPACK
MAKEDEPEND_OPTIONS=-M
MAKEINDEX=
MAPLE=
MAX_INCREMENT_LIBRARY=0
MKDIR=mkdir -p
MODULE_FLAG=-I
MODULE_SUFFIX=mod
MPILIB=-I/home/soft/mpich2-1-5/include -L/home/soft/mpich2-1-5/lib -lmpich -lopa -lmpl -lrt -lpthread
MPPLIB=-L/home/soft/ga-5-2/lib -lga -larmci
OBJECT_SUFFIX=o
OPT0=ccabc.F mxmadd.F response.F90 vcff2d.F copyc6.F
OPT1=
OPT2=rdip.F cigps.F drv2el_pg.F t2tran.F ucckext.F cicon.F
OPT3=
PAPER=a4paper
PARSE=parse-Linux-ia64-i8.o
PDFLATEX=
PNAME=molprop_2012_1_Linux_ia64_i8
PREFIX=/home/soft/molpro2012.1.11/molprop_2012_1_Linux_ia64_i8
PTSIZE=11
PYTHON=/usr/bin/python
RANLIB=ranlib
RM=rm -rf
SHELL=/bin/sh
STRIP=strip
SUFFIXES=F F90 c cpp
TAR=tar -cf
UNTAR=tar -xf
VERBOSE=@
VERSION=2012.1
XSD=/usr/bin/xmllint --noout --schema
XSLT=/usr/bin/xsltproc
YACC=bison -b y
.SUFFIXES:
MAKEFLAGS+=-r
ifneq ($(LD_ENVNAME),)
$(LD_ENVNAME):=$(LD_ENV):$($(LD_ENVNAME))
endif
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