| 12:21:40 PM PDT - Tue, Aug 20th 2013 |
|
I am trying to compile NWchem 6.3 using the Intel compilers (2013.0.028) and the Intel mpi. I am getting a lot of “ifort: command line warning #10006: ignoring unknown option” errors.
I am compiling on an SandyBridge machine with 16 processors and 128GB RAM. The OS is SLES11 SP1. The network is a 10GE with a Mellanox ConnectX NIC.
The steps I used to compile are:
cd /lustre01/vol0/crookscj/nwchem-6.3-src.2013-05-28
- the following source setups up the PATH and LD_LIBRARY_PATH for the Intel compilers.
source /tstapps/global/bin/devsetup
setenv LARGE_FILES TRUE
setenv USE_NOFSCHECK TRUE
setenv TCGRSH /usr/bin/ssh
setenv NWCHEM_TOP /lustre01/vol0/crookscj/nwchem-6.3-src.2013-05-28
setenv NWCHEM_TARGET LINUX64
setenv USE_MPI y
setenv USE_MPIF y
setenv USE_MPIF4 y
setenv MPI_LOC $I_MPI_ROOT
setenv MPI_LIB $I_MPI_ROOT/lib64
setenv MPI_INCLUDE $I_MPI_ROOT/include64
setenv BLASOPT "-mkl"
setenv ARMCI_NETWORK MPI-SPAWN
setenv FC mpiifort
setenv CC mpiicc
setenv CXX mpiicpc
setenv FXX mpiifort
cd src
make nwchem_config NWCHEM_MODULES=all
- I had to add the FC=mpiifort option to the command line. It did not seem to pick it up
- from the setenv, although the CC option did.
make FC=mpiifort |& tee make.log01
When I do the compile I get the file following errors:
ifort: command line warning #10006: ignoring unknown option '-dM'
ifort: command line warning #10006: ignoring unknown option '-sTdIn_'
ifort: command line error: no files specified; for help type "ifort -help"
ifort: command line warning #10006: ignoring unknown option '-dM'
ifort: command line warning #10006: ignoring unknown option '-sTdIn_'
ifort: command line error: no files specified; for help type "ifort -help"
ifort: command line warning #10006: ignoring unknown option '-dM'
ifort: command line warning #10006: ignoring unknown option '-sTdIn_'
ifort: command line error: no files specified; for help type "ifort -help"
/bin/sh: line 0: [: too many arguments
I do get a binary, however, when I try to run with an input file that works with 6.1.1 I get the following errors.
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
MA fatal error: MA_sizeof: invalid datatype: 343597384693
I can upload the make.log01 and input file, if you let me know how/where you want it.
Thanks for your help.
Cindy
|