Hi,
I'm trying to compile Nwchem-6.6 from source on HPC cluster.
I have hit an error saying:
checking whether gfortran needs a flag to compile fixed format source... none
checking whether gfortran needs a flag to compile inconsistent types... none
checking for desired Fortran INTEGER size... 8
checking for INTEGER size compile flag...
configure: WARNING: !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
configure: WARNING: Unable to find a flag to promote Fortran integers
configure: WARNING: INTEGER*8 promotion is not supported
configure: WARNING: !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
checking for -fno-aggressive-loop-optimizations support in Fortran 77 compiler... -fno-aggressive-loop-optimizations
checking size of Fortran INTEGER... no
checking size of Fortran REAL... no
checking size of Fortran DOUBLE PRECISION... no
checking for dtime... no
checking for etime... no
checking for gfortran flush routine... flush
checking for flag to disable gfortran main when linking with C main... none
checking for routines to access the command line from Fortran... yes
checking whether Fortran hidden string length convention is after args...
configure: error: f2c string convention is neither after args nor after string
make[1]: *** [build/config.status] Error 1
make[1]: Leaving directory `/home/saumen/nwchem-6.6/src/tools'
make: *** [libraries] Error 1
Can you please help me to set up this on my hpc ? I have a working 'gfortran' on cluster but don't know what is causing the issue.
The environment I'm using is:
setenv LARGE_FILES TRUE
setenv USE_NOFSCHECK TRUE
setenv NWCHEM_TOP /home/saumen/nwchem-6.6
setenv NWCHEM_TARGET LINUX64
setenv USE_MPI y
setenv NWCHEM_TARGET LINUX64
setenv USE_INTERNALBLAS y
setenv LD_LIBRARY_PATH /app/openmpi-1.6.4/lib/:$LD_LIBRARY_PATH
setenv PATH /app/openmpi-1.6.4/bin/:$PATH
setenv USE_PYTHONCONFIG y
setenv PYTHONVERSION 2.6
setenv PYTHONHOME /app
I'm putting the make.log and config.log file in the following link:
thank you
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