Compiling GAMESS (Staff)

Download

module load intel/compilers/64 intel/mkl

./config
Use sockets

cd ddi
Modify MAXCPUS and MAXNODES inside compddi
./compddi &> compddi.log
mv ddikick.x ..

cd ..
Edit compall – Set CC to icc for linux64 case
./compall &> compall.log

Change version number to match date of release (“201711”, below)
./lked gamess 201711 >& lked.log

Edit rungms