I am a bit of novice when it comes to this software and linux as a whole. I have been trying to connect my XMVB package to GAMESS-US on a 64 bit linux system with no luck. The instructions I have followed are copied and pasted below. When I try to run the lked script in GAMESS again to save my changes, I keep getting errors saying that I need to compile libgamess-xmvb.a using -fPIC. I was under the impression that XMVB contained only precompiled binary and no new compilation would be required. Has anyone had this issue before?
To build GAMESS-XMVB, you will need the file "libgamess-xmvb.a" in the package and GAMESS-US source.
Link the XMVB with GAMESS-US in the following step:
1 swith XMVB on and VB2000 off by setting
XMVB will need LAPACK routine so MKL will be a good choice. I did not
test ATLAS so I will recommend you to swith MTHLIB to "none" in "install.info
" if there is no MKL avaliable and build your own LAPACK library from source with 8-byte integer.
3 Modify following line in "lked"
if MKL is chosen or
set VBOBJ="libgamess-xmvb.a /path/to/your/liblapack.a /path/to/your/libblas.a"
if none of the MTHLIB is used.
4 set LDOPT="-fopenmp -mcmodel=large" in "lked" for your $TARGET.
5 Copy "libgamess-xmvb.a" to directory "object" and start linking.