times small: AgI.out.1.10: wall time: 25:44 from Wed Oct 27 15:55:12 CEST 2004 to Wed Oct 27 16:20:56 CEST 2004 25m30.07s CPU time AgI.out.1.5: wall time: 14:26 from Wed Oct 27 15:40:46 CEST 2004 to Wed Oct 27 15:55:12 CEST 2004 14m25.96s CPU time ESPRESSO version: 2.1 (with minor changes to compile cleanly) http://ftp.theochem.ruhr-uni-bochum.de/outgoing/axel_kohlmeyer/pwscf-bin/ Machine (CPU, Bus speed, Cache, RAM, RAM speed): Athlon 64 3000+, 2.0GHz, 512kB Cache, 2GB(=2x1GB) PC2700 DDR-SDRAM (aka PC333) Compilers, compiler options, and BLAS/LAPACK libraries used: ifort 8.1, FFLAGS= -Vaxlib -O2 -assume byterecl -unroll LIBS= -L$(HOME)/lib/ -latlas_x86_64 single threaded LAPACK/ATLAS from http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-linux.html#atlas Parallel communications (protocols, ports, cards, switches): serial execution.