It would be nice to have it, but if i can get what I need with the pre- C++11 api.
For the pre- C++11 api:
I am trying to set up libint with 1-body derivatives. However I am find the following error:
working on _3emultipole_G_S ... done
working on _3emultipole_G_P ... done
working on _3emultipole_G_D ... done
working on _3emultipole_G_F ... done
working on _3emultipole_G_G ... done
working on _overlapderiv1_S_S ... /bin/sh: line 1: 80125 Segmentation fault: 11 /Users/luke/devel/build/libint_gamess_build/src/lib/libint/../../../src/bin/libint/build_libint
make[3]: * [tmp/libint/libint2_params.h] Error 139
make[2]: * [default] Error 1
make[1]: * [default] Error 1
make: * [default] Error 1
I configured with this:
../libint_gamess/configure --enable-eri=1 --with-1body-max-am=4 --enable-1body=1 --with-max-am=4 --with-cartgauss-ordering=gamess --with-incdirs=-I/opt/local/include --with-libdirs=-L/opt/local/lib --with-cxx-optflags=-O2 --with-cxx=g++ --prefix=/Users/luke/devel/install/libint_gamess
Everything works fine with I turn off the 1-body derivatives.
It would be nice to have it, but if i can get what I need with the pre- C++11 api.
For the pre- C++11 api: I am trying to set up libint with 1-body derivatives. However I am find the following error:
working on _3emultipole_G_S ... done working on _3emultipole_G_P ... done working on _3emultipole_G_D ... done working on _3emultipole_G_F ... done working on _3emultipole_G_G ... done working on _overlapderiv1_S_S ... /bin/sh: line 1: 80125 Segmentation fault: 11 /Users/luke/devel/build/libint_gamess_build/src/lib/libint/../../../src/bin/libint/build_libint make[3]: * [tmp/libint/libint2_params.h] Error 139 make[2]: * [default] Error 1 make[1]: * [default] Error 1 make: * [default] Error 1
I configured with this: ../libint_gamess/configure --enable-eri=1 --with-1body-max-am=4 --enable-1body=1 --with-max-am=4 --with-cartgauss-ordering=gamess --with-incdirs=-I/opt/local/include --with-libdirs=-L/opt/local/lib --with-cxx-optflags=-O2 --with-cxx=g++ --prefix=/Users/luke/devel/install/libint_gamess
Everything works fine with I turn off the 1-body derivatives.
Thanks, Luke