Comments
System: GP7000/AP w/ 16 nodes
CPU: SUN Ultra-II
Memory: 1GB node 0; 512MB other nodes
L2 Cache: 2MB
OS: Solaris 2.5.1
Compiler: Sun Compiler V4.2
FFLAGS: -O5 -dalign -xarch=v8plusa -xchip=ultra -xcache=16/32/4:2048/32/1
-fsimple==2 -xdepend -xlibmil -xsafe=mem
CFLAGS: -xO5 -dalign -xarch=v8plusa -xchip=ultra -xcache=16/32/4:2048/32/1
-fsimple==2 -xdepend -xlibmil -xsafe=mem
LIBS: -xlic_lib=sunperf
MPI: MPICH 1.1 socket version MPI
Results:
1. Charmm V2.6 from Scripps
2. Problem description:
MbCO + 3830 water molecules (14026 atoms), 1000 steps.
3. Timing
Nodes 1 2 4 8 16
Elapsed time(hr) 1.23 0.63 0.35 0.17 0.098
scalability 1.0 1.95 3.51 7.24 12.55