| 1:42:13 PM PST - Fri, Mar 6th 2020 |
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Also I decided to try with openblas, so the following command added to above instructions:
export HAS_BLAS=yes
export BLASOPT="/usr/lib/x86_64-linux-gnu/openblas"
but leads to:
make[1]: Leaving directory '/home/harir/nwchem-6.8.1-release/src'
gfortran -fopenmp -L/home/harir/nwchem-6.8.1-release/lib/LINUX64 -L/home/harir/nwchem-6.8.1-release/src/tools/install/lib -o /home/harir/nwchem-6.8.1-release/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 -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil /usr/lib/x86_64-linux-gnu/openblas -lnwclapack -lnwcblas -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lcomex -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lf77blas -latlas -lrt -lpthread -lm -lpthread
/usr/bin/ld: cannot find /usr/lib/x86_64-linux-gnu/openblas: File format not recognized
collect2: error: ld returned 1 exit status
GNUmakefile:33: recipe for target 'all' failed
make: *** [all] Error 1
- 3
I use whereis openblas in my terminal command and:
openblas: /usr/lib/x86_64-linux-gnu/openblas
but I dont know what is the correct way for address and fixes the error!
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