Ansys Learning Forum Forums Discuss Simulation Fluids Running Chemkin through fortran Reply To: Running Chemkin through fortran

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Hello Judy, Thaks for the response.

Regarding moving a copy of file to cksample: I tried that but cant because cksample is a exe file present inside ../bin . This exe file is called to run the program , i am unable to create a folder cksample inside bin as already with same name an exe file is there.

Output from the terminal :

~/Desktop/Neeraj/Project_in_Linux/Code/sample_apps_f77/sksample$ make -i -f sksample_unix.mak

Compiling sksample_driver.f
ifort -assume noold_maxminloc -fPIC -O3 -m64 -D_LINUXX8664 -DUSE_XERCES_2_8 -qopenmp -mkl=sequential -I. -Iunix -I../unix -I.. -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/include/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/user_routines -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/solvers/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/multiPhase -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/kinetics/API  -I/include -I/include/xercesc -I/source/encryption -nofor_main -fpp  -I/opt/intel/oneapi/mkl/2021.4.0/include/intel64/lp64 -I/opt/intel/oneapi/mkl/2021.4.0/include  -c -o sksample_driver.o sksample_driver.f
Compiling sksample.f
ifort -assume noold_maxminloc -fPIC -O3 -m64 -D_LINUXX8664 -DUSE_XERCES_2_8 -qopenmp -mkl=sequential -I. -Iunix -I../unix -I.. -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/include/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/user_routines -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/solvers/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/multiPhase -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/kinetics/API  -I/include -I/include/xercesc -I/source/encryption -nofor_main -fpp  -I/opt/intel/oneapi/mkl/2021.4.0/include/intel64/lp64 -I/opt/intel/oneapi/mkl/2021.4.0/include  -c -o sksample.o sksample.f
Creating /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/sksample
ifort -mkl=sequential -fpp -I. -Iunix -I../unix -I.. -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/include/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/user_routines -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/solvers/ -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/source/multiPhase -I/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/kinetics/API  -I/include -I/include/xercesc -I/source/encryption -L. -L/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/ -L/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/ -o /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/sksample sksample_driver.o sksample.o -L. -L/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/ -L/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/ /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/chemkin_xml.a  /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/restart_xml.a /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/chemkin_zip.a  /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/ckptm.a /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/surface_chemkin.a /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/chemkin.a /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/solvers.a /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib//libmkl_blas95_lp64.a /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib//libmkl_lapack95_lp64.a  -lpthread -lm -mkl=sequential /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/user_routines.a -lxerces-c-3.2 -lckzip -lckunzip -lCKGlobalMechanism   -L/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/ -L/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/lib/ -qopenmp -lpthread -lrt -lstdc++ 
Running chem
/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/chem -i chem.inp -o chem.out
Licenses Released
Running surf
/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/surf -i surf.inp -o surf.out
Licenses Released
Running sksample
/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/sksample < sksample.inp > sksample.out
/home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664/bin/sksample: error while loading shared libraries: libxerces-c-3.2.so: cannot open shared object file: No such file or directory
make: [sksample_make.inc:55: sksample.out] Error 127 (ignored)

sksample_unix.mak file has

#***********************************************************************BEGIN-HDR
#
#  © 2022 ANSYS, Inc.  Unauthorized use, distribution, or duplication is prohibited.
#
#  $Header: /chemkin/4.1/prebuild/samples/sample_apps_cpp/sksample/sksample_unix.mak 55    12/21/05 8:46p Frupley $
#
#  $NoKeywords: $
#***********************************************************************END-HDR
#
# This make file is used to build the Chemkin SKSAMPLE sample.

ALL : sksample.out

# relative path to the CHEMKIN install directory
CKROOT  = /home/neeraj/Documents/Ansys_inst/ansys_inc/v222/reaction/chemkinpro.linuxx8664

# global CHEMKIN make directives
include $(CKROOT)/include/chemkin_make_unix.inc


# first part of the Fortran link command
ifdef USE_INT64
LINK  = $(FOR) $(FFLAGS) $(LDFLAGS) $(EXENAME)
else
LINK  = $(FOR) -mkl=sequential -fpp $(CHEMKININCLUDE) $(LDFLAGS) $(EXENAME)
endif

# make directives for this problem
include sksample_make.inc

----------------------------------------------------------------------------

sksample_make.inc file has

#***********************************************************************BEGIN-HDR
#
#  © 2022 ANSYS, Inc.  Unauthorized use, distribution, or duplication is prohibited.
#
#  $Header: /chemkin/4.3/prebuild/samples/sample_apps_f77/sksample/sksample_make.inc 16    5/16/08 9:51a Frupley $
#
#  $NoKeywords: $
#***********************************************************************END-HDR
#
# This make file is used to build the Chemkin SKSAMPLE sample.

#
# targets to build
#

SKSAMPLE_OBJS = sksample_driver$(OBJECT) sksample$(OBJECT)
$(CHEMKINBIN)sksample$(EXE)   : $(SKSAMPLE_OBJS)
    $(CK_DISPLAY) Creating $@
    $(LINK) $? $(ALL_LIBRARIES)
    $(REMOVE) $(INTERMEDIATE_FILES)

#
# run the programs
#

#*************************************
#   Run gas-phase Chemkin interpreter
#     the input file is 'chem.inp'
#     the output file is 'chem.out'
#*************************************
chem.asc     : $(CHEMKINBIN)chem$(EXE) therm.dat chem.inp
    $(CK_DISPLAY) Running chem
    $(REMOVE) $(CHEM_OUTPUTS)
    $(CHEMKINBIN)chem -i chem.inp -o chem.out

#*************************************
#   Run Surface Chemkin interpreter
#     the input file is 'surf.inp'
#     the output file is 'surf.out'
#*************************************
surf.asc     : $(CHEMKINBIN)surf$(EXE) chem.asc therm.dat surf.inp
    $(CK_DISPLAY) Running surf
    $(REMOVE) $(SURF_OUTPUTS)
    $(CHEMKINBIN)surf -i surf.inp -o surf.out

#*************************************
#   Run Sksample
#     the input file is 'sksample.inp'
#     the output file is 'sksample.out'
#*************************************
SKSAMPLE_OUTPUTS = sksample.out
sksample.out  : $(CHEMKINBIN)sksample$(EXE) surf.asc sksample.inp chemkindata.dtd
    $(CK_DISPLAY) Running sksample
    $(REMOVE) $(SKSAMPLE_OUTPUTS)
    $(CHEMKINBIN)sksample < sksample.inp > sksample.out

ALL_EXES     = $(CHEMKINBIN)sksample$(EXE)
CLEAN       :
    $(REMOVE) $(EXTRA_CLEAN) $(ALL_EXES) $(ALL_LIBS) $(SKSAMPLE_OUTPUTS)

----------------------------------------------------------------------------

 

 

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