NWChem 6.6/CentOS 7 compile fails

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Gets Around
Threads 18
Posts 57
Still no success. Here are the last few lines of make.log

ixamax.F:14: note: === vect_analyze_slp ===
ixamax.F:14: note: Failed to SLP the basic block.
ixamax.F:14: note: not vectorized: failed to find SLP opportunities in basic block.
make[2]: Leaving directory `/usr/local/nwchem-6.6/src/64to32blas'
make[2]: Entering directory `/usr/local/nwchem-6.6/src/64to32blas'
Got lock on /usr/local/nwchem-6.6/lib/LINUX64/lib64to32.lock
ar r /usr/local/nwchem-6.6/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o xscal.o xaxpy.o xgemm.o xheev.o xcopy.o xdotc.o ixamax.o
ar: creating /usr/local/nwchem-6.6/lib/LINUX64/lib64to32.a
echo /usr/local/nwchem-6.6/lib/LINUX64/lib64to32.a
make[2]: Leaving directory `/usr/local/nwchem-6.6/src/64to32blas'
make[1]: Leaving directory `/usr/local/nwchem-6.6/src/64to32blas'
make nwchem.o stubs.o
make[1]: Entering directory `/usr/local/nwchem-6.6/src'
gfortran -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O   -I.  -I/usr/local/nwchem-6.6/src/include -I/usr/local/nwchem-6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/usr/local/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'"  -c -o nwchem.o nwchem.F
gfortran -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O   -I.  -I/usr/local/nwchem-6.6/src/include -I/usr/local/nwchem-6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/usr/local/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'"  -c -o stubs.o stubs.F
make[1]: Leaving directory `/usr/local/nwchem-6.6/src'
gfortran  -Wl,--export-dynamic  -L/usr/local/nwchem-6.6/lib/LINUX64 -L/usr/local/nwchem-6.6/src/tools/install/lib   -o /usr/local/nwchem-6.6/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -I/usr/lib64/gfortran/modules/openmpi -L/usr/lib64/openmpi/lib -lelpa -L/usr/lib64/openmpi/lib -lscalapack -lmpiblacs -l64to32 -lopenblas -lpthread -lrt  -lnwclapack  -lnwcblas   -L/usr/lib64/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi     -lrt -lm  -lpthread  -lnwcutil -lpthread -ldl -lutil -lm -lpython2.7  -lpthread -ldl -lutil -lm -lpython2.7 -Xlinker -export-dynamic  
/usr/bin/ld: cannot find -lmpiblacs
collect2: error: ld returned 1 exit status
make: *** [all] Error 1

I'm giving up the battle for now: if someone can make this work, they will hopefully post more details about which version of CentOS, and which programs are installed, and in which directories.

Who's here now Members 0 Guests 0 Bots/Crawler 0

AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC