| 6:32:50 AM PST - Tue, Dec 17th 2013 |
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Dear Edo, thank you so much for your help.
Regarding points a) and b):
a) environment variable, here below what I am using:
setenv LARGE_FILES TRUE
setenv USE_NOFSCHECK TRUE
setenv LIB_DEFINES -DDFLT_TOT_MEM=16777216
setenv NWCHEM_TARGET LINUX64
setenv ARMCI_NETWORK MPI-MT
setenv NWCHEM_MODULES all
setenv MRCC_THEORY TRUE
setenv USE_SCALAPACK y
- link to the libraries
setenv MKL "/usr/users/bin/intel/mkl/10.2.7.041/lib/em64t"
setenv BLASOPT "-L${MKL} -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lpthread -lm"
setenv LAPACK_LIB "-L${MKL} -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lpthread -lm"
setenv SCALAPACK "-L${MKL} -lmkl_scalapack_ilp64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_ilp64 -lpthread -lm"
b) as a compiler I am using gfortran (make FC=gfortran >& make.log)
I checked and I have all the three config.lof files.
How can I upload or send you these files, I wouldn't copy and paste here because are quite large.
Usually the warnings that I have in the three config.log are:
- conftest.c:117:53: warning: integer overflow in expression [-Woverflow]
- conftest.c:118:6: warning: conflicting types for built-in function 'fork' [enabled by default]
- conftest.c:116:6: warning: conflicting types for built-in function 'floor' [enabled by default]
- the same as above for 'modf', 'pow', 'sqrt', 'hypot', 'bcopy', 'bzero', 'memcpy', 'memset' and others
- cc1: warning: command line option '-fno-rtti' is valid for C++/ObjC++ but not for C [enabled by default]
Thank you so much for your help and patient!
Daniele
%%
Daniele
It's hard to tell what went wrong in your installation, more details would help in diagnosing the problem.
Could you please send us (or upload to a website) the following files (2 or 3 might be missing):
1) $NWCHEM_TOP/src/tools/build/config.log
2) $NWCHEM_TOP/src/tools/build/armci/config.log
3) $NWCHEM_TOP/src/tools/build/comex/config.log
Could you also send us:
a) list of env. variables used
b) compilation command used (e.g. make FC=ifort)
Thanks, Edo
%%
Quote:Edoapra Dec 12th 6:00 pmDaniele
It's hard to tell what went wrong in your installation, more details would help in diagnosing the problem.
Could you please send us (or upload to a website) the following files (2 or 3 might be missing):
1) $NWCHEM_TOP/src/tools/build/config.log
2) $NWCHEM_TOP/src/tools/build/armci/config.log
3) $NWCHEM_TOP/src/tools/build/comex/config.log
Could you also send us:
a) list of env. variables used
b) compilation command used (e.g. make FC=ifort)
Thanks, Edo |