compile error

Dave Wilson chdjw at alinga.newcastle.edu.au
Wed Dec 5 14:40:14 GMT 2001


I'm compiling molpro on the following:
 SUNOS 5.7 Generic_106541-17 sun4u sparc SUNW,Ultra-4

However, the following compilation crashes with error listed below. I've
also attached the CONFIG file. It only appears to be a single file that is
causing the problem.

Any help is gratefully accepted.

Cheers
Dave

ERROR:
alinga 150 % make
make[1]: Entering directory `/alinga1/research/chdjw/molpro2000.1/src/dft'
make[1]: `dft.o' is up to date.
make[1]: `dftfun.o' is up to date.
make[1]: `dftgrid.o' is up to date.
make[1]: `dfti.o' is up to date.
dftigrad.f: preprocessing ... compiling ... failed:
 Note: Nonstandard floating-point mode enabled
 See the Numerical Computation Guide, ieee_sun(3M)
f77 -c -fast -xarch=v8plusa -fsimple=2 dftigrad.f
dftigrad.f:
        dftigrad:
"dftigrad.f", line 141: Warning: local variable "eta" never used
"dftigrad.f", line 141: Warning: local variable "contrc" never used
"dftigrad.f", line 142: Warning: local variable "grpp" never used
"dftigrad.f", line 143: Warning: local variable "xx" never used
"dftigrad.f", line 161: Warning: local variable "iweight" never used
        dfti_block_grad:
        dfg:
        dft_bxden:
        dft_bxdeni:
        dft_gety_closed_nograd:
        dft_gety_closed_grad:
        dft_gety_open_nograd:
        dft_gety_open_grad:
        dfg_getsym:
"dftigrad.f", line 1030: Warning: local variable "ubleprecision" never
used
"dftigrad.f", line 1030: Error: syntax error at or near symbol ,
"dftigrad.f", line 1031: Warning: local variable "integer" never used
"dftigrad.f", line 1031: Error: syntax error at or near symbol ,
"dftigrad.f", line 1032: Error: syntax error at or near symbol ,
"dftigrad.f", line 1034: Error: syntax error at or near symbol ,
"dftigrad.f", line 1037: Error: declaration among executables
"dftigrad.f", line 1037: Warning: local variable "dimension" never used
"dftigrad.f", line 1037: Error: syntax error at or near symbol :
"dftigrad.f", line 1038: Error: syntax error at or near symbol :
"dftigrad.f", line 1046: Error: syntax error at or near symbol ,
"dftigrad.f", line 1052: Error: nonlogical operand of logical operator
"dftigrad.f", line 1057: Error: syntax error at or near symbol ,
"dftigrad.f", line 1062: Error: syntax error at or near symbol ,
"dftigrad.f", line 1064: Error: syntax error at or near symbol ,
"dftigrad.f", line 1073: Error: syntax error at or near variable name
"subroutinedfg_getsym"
make[1]: *** [dftigrad.o] Error 1
make[1]: Leaving directory `/alinga1/research/chdjw/molpro2000.1/src/dft'
make: *** [library] Error 2




___________________________________________________________
David Wilson		        Theoretical Chemistry Group

Chemistry Discipline	    	Phone  Work +61 2 4921 5467
University of Newcastle     	Fax    Work +61 2 4921 5472 
Australia		    		
	 http://quantum.newcastle.edu.au/david
-------------- next part --------------
# MOLPRO CONFIG generated at Wednesday December  5 23:16:55 EST 2001 with version 2000.1
#               for host alinga.newcastle.edu.au, architecture unix unix-i4 unix-sun
#
#  insert additional hosts before alinga.newcastle.edu.au in above line, if desired
#
ARCHITECTURE="unix unix-i4 unix-sun"



# Compilers ..
CC="cc"
FC="f77 "
F90="f90 "
# compiler command to be used only when linking molpro.exe .. eg mpxlf on IBM SP
LINKFC="f77 "
YACC="yacc"
ARFLAGS="-r"
# C defines
# nb	SEEK is disk seek speed in seconds
#	SPEED is disk transfer rate in 8 bytes/second
# compiler optimisation
COPT="-fast -xarch=v8plusa -fsimple=2"
FOPT="-fast -xarch=v8plusa -fsimple=2"
# compiler explicit no optimisation
CDEF="-DSEEK=.001 -DSPEED=200000    "
CNOPT=" "
COPT1="-O1"
COPT2="-O2"
FNOPT=" "
FOPT1="-O1"
FOPT2="-O2"
# compiler debug flag
CDEBUG="-g"
FDEBUG="-g"
# static variables
FSTATIC=" "
# 64-bit integers
FI64=" "
# profiling
FPROFILE="-p"
CPROFILE="-p"
# additional pre-processor flags
FTCFLAGS=""
# additional directories to be compiled in mpp case
MPPDIR=""
# additional libraries and link options
LIBS="-lnsl -lxnet -L/usr/ucblib/libucb.a"
LINKOPT=" "
# non-standard location of system libraries
LIBDIR=""
# GKS X-windows library
GKSLIB="-lgks0"
# BLAS library
BLASLIB=""
# LAPACK library
LAPACKLIB=""
# MPP?
MPP="0"
USE_MPI=""
MPI_LIB=""
MPITYPE=""
MPIBASEDIR=""
# files in src/ to be compiled without optimization
F77VERSION=""
NO_OPT=""
F_OPT1=" "
F_OPT2="Molcas/twoel_mck.f Molcas/sether.f"
C_OPT1=" "
C_OPT2=" "
# use malloc replacement?
GMALLOC="1"
# ranlib command (if not needed, true)
RANLIB="ranlib"
# ls command to get user and group
LSFULL="ls -l"
# cp -p if it exists, else cp
CP="cp -p"
# tar command
TAR="tar"
# awk command
AWK="nawk"
# installation directories
INSTBIN="/research/chdjw/bin"
INSTLIB="/research/chdjw/lib"
INSTHTML="/research/chdjw/public_html"
INSTCGI="/research/chdjw/public_html"
# tuning parameters
PARSE=parse-sparc-sun-solaris-v8plusa-i4.o
TUNE_CPU_LATENCY_1='    5.85'
TUNE_CPU_BANDWIDTH_1='  225.62'
TUNE_CPU_LATENCY_2='    3.96'
TUNE_CPU_BANDWIDTH_2='  355.70'
TUNE_CPU_LATENCY_3='    1.24'
TUNE_CPU_BANDWIDTH_3='  595.35'


More information about the Molpro-user mailing list