Dear all,
I would like to install cpptraj with openmp.
I first followed the instructions from:
http://dev-archive.ambermd.org/201107/0005.html
So I did:
cd $AMBERHOME/AmberTools/src/cpptraj
./configure -openmp gnu --with-netcdf=$AMBERHOME
Using gnu compilers
Using NETCDF in /panfs/panasas01/chem/chmwvdk/amber14
Installing cpptraj binary to
/panfs/panasas01/chem/chmwvdk/amber14/AmberTools/src/cpptraj/bin
Using OPENMP
Testing C compiler:
OK
Testing C++ compiler:
OK
Testing Fortran compiler:
OK
Checking BZLIB
OK
Checking ZLIB
OK
Checking NetCDF
OK
Checking ARPACK/LAPACK/BLAS
./configure: line 86: ./testp: No such file or directory
Error: Unable to compile using:
g++ -O3 -Wall -fopenmp -DHASBZ2 -DHASGZ -DBINTRAJ
-D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64
-I/panfs/panasas01/chem/chmwvdk/amber14/include -o testp testp.cpp
-larpack -llapack -lblas -lgfortran -w
Please check your compiler settings or configure flags. Error follows:
--------------------
/usr/bin/ld: cannot find -larpack
collect2: error: ld returned 1 exit status
--------------------
This is despite having $AMBERHOME/lib/libarpack.a
(I also have $HOME/ARPACK/libarpack.a and I tried including that in the
LD_LIBRARY_PATH, but to no avail - same error as above.)
What should I do to resolve this?
Thanks,
Marc
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Received on Tue Sep 08 2015 - 09:00:03 PDT
