| 1:02:53 PM PST - Wed, Nov 21st 2012 |
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Hello, I compiled 6.1 on the Linux cluster, gcc version 4.4.6 20120305, but I am not able to do it for 6.1.1:
---
cd nwchem-6.1.1-src
cd src
export NWCHEM_TOP=/home/gb/nwchem-6.1.1-src
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES="all"
export ARMCI_NETWORK=OPENIB
export USE_NOFSCHECK=TRUE
export LARGE_FILES=TRUE
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export LIBMPI="-lmpichf90 -lmpich -lopa -lmpl -lpthread -lrdmacm -libverbs -libumad -ldl -lrt"
export MPI_LIB=/usr/lib64/mvapich2/lib
export MPI_INCLUDE=/usr/include/mvapich2-x86_64
export FC=gfortran
export CC=gcc
make nwchem_config
make >& make.log
---
Errors (only for 6.1.1) are:
gfortran -L/home/gb/nwchem-6.1.1-src/lib/LINUX64 -L/home/gb/nwchem-6.1.1-src/src/tools/install/lib -o /home/gb/nwchem-6.1.1-src/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 -lp
roperty -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -lpeigs -lperfm -lcons -lbq -lnwcutil -llapack -lblas -L/usr/lib64/mvapich2/lib -lmpichf90 -lmpich -lopa -lmpl -lpthread -lrdmacm
-libverbs -libumad -ldl -lrt -libverbs
/home/gb/nwchem-6.1.1-src/lib/LINUX64/libnwcutil.a(output.o): In function `output':
/home/gb/nwchem-6.1.1-src/src/util/output.f:41: undefined reference to `for_write_seq_fmt'
/home/gb/nwchem-6.1.1-src/src/util/output.f:52: undefined reference to `for_write_seq_fmt'
/home/gb/nwchem-6.1.1-src/src/util/output.f:52: undefined reference to `for_write_seq_fmt_xmit'
/home/gb/nwchem-6.1.1-src/src/util/output.f:52: undefined reference to `for_write_seq_fmt_xmit'
... (many similar lines)
Thank you for your advice.
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