run tests with CUDA

From: Massimiliano Porrini (
Date: Mon May 02 2011 - 16:25:17 CDT

Dear all,

I was testing NAMD-CUDA (precisely NAMD_2.8b1_Linux-x86_64-CUDA)
on my GPU workstation which has:

- two Tesla C2070 boards

- one GeForce GTX 470 card

- Intel Xeon E5620 Processor, 2.40GHz (Quad-Core/8 thread SMT)

The system under investigation is an 11 residues long peptide immersed
in a TIP3P
water molecules box (truncated octahedron), with a total number of atoms equal
to 14038. The simulation conf file is attached.

I would like to know if the following computing times are OK,
or there are some improving settings (hardware or software)
that I am missing in my machine:

- CPU run with 16 processes: 14m 29s
- GeForce GTX 470: 20m 33s
- 1 Tesla: 21m 02s
- 2 Teslas: 13m 02s
- 2 Teslas + GTX 470: 10m 13s

I am asking this mainly because I would expect that one Tesla C2070
was anyway faster than one GeForce GTX 470 and 2 Teslas faster than
the CPU, am I wrong?

Many thanks in advance.

Best regards,

Dr Massimiliano Porrini
P. E. Barran Research Group
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ
Tel +44-(0)131-650-5229
E-mails :

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