times small: AgI.out.1.10: wall time: 19:14 from Wed Oct 27 14:58:41 CEST 2004 to Wed Oct 27 15:17:55 CEST 2004 19m14.55s CPU time AgI.out.1.5: wall time: 11:02 from Wed Oct 27 14:47:39 CEST 2004 to Wed Oct 27 14:58:41 CEST 2004 11m 0.08s 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 3200+, 2.0GHz, 1MB Cache, 1GB(=2x512MB) PC2100 DDR-SDRAM (aka PC266) 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.