CHARMM performance executed on a variety of networks and PII/450MHz first number is the elapsed time in seconds and the second number is speedup.

A. Spherical cutoff

	Number of CPUs
NETWORK	1	2	4	8	16
Myrinet	559.3	285.1/1.96	146.0/3.83	76.4/7.32	42.3/13.22
GNIC-II/TCP	549.4	280.2/1.96	144.0/3.82	76.0/7.23
GNIC-II/M-VIA
100BT/Switch	554.0	288.6/1.92	154.8/3.58	93.7/5.91	79.6/6.96
100BT/DRING	401.7	209.2/1.92	110.9/3.62	60.2/6.67
sgi O2k	352.4	178.6/1.97	86.9/4.05	47.4/7.43	26.3/13.40

B. PME

	Number of CPUs
NETWORK	1	2	4	8	16
Myrinet	1028.0	585.9/1.75	310.1/3.32	158.2/6.5	94.0/10.94
GNIC-II/TCP	945.8	520.7/1.82	280.1/3.38	159.1/5.94
GNIC-II/M-VIA
100BT/Switch	1027.3	637.1/1.61	381.4/2.69	298.5/3.44	637.4/1.61
100BT/DRING	817.2	509.6/1.60	291.6/2.80	192.6/4.24
sgi O2k	629.3	316.9/1.99	158.1/3.98	88.9/7.08	53.5/11.76

DETAILS:

All the results were performed with CHARMM c28a1 (same as c27b1) in the week of October 17, 1999. All processors were Pentium-II/450MHz.

• Myrinet: Machines running at NIH Biowulf RedHat-6.0 and MPICH-GM-1.1.2..7, and g77-2.91.66 compiler on Myrinet switch
• GNIC-II/TCP: Machines running at NIH LoBoS RedHat-6.0 and MPICH-1.1.2, and g77-2.91.66, Linux-2.2.13, hamachi.c-v0.11 on gigabit network
• GNIC-II/VIA: Machines running at NIH LoBoS RedHat-6.0 and MVICH-0.02, and g77-2.91.66, Linux-2.2.13, hamachi.c-v0.07 using VIA protocol (mvia-1.0) on gigabit network - coming soon
• 100BT/Switch: Machines running at NIH Biowulf RedHat-6.0 and MPICH-1.1.2, and g77-2.91.66 compiler on 100BaseT switch
• 100BT/DRING: at NIC VRANADebian (potato), MPICH-1.1.2, g77-2.95.1, 100BaseT NICs connected point-to-point in a Double RING setup.
• sgi O2K: sgi's Origin 2000 computer at NIH Galaxy