Re: FEP error using CUDA

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Sun Apr 13 2014 - 23:14:03 CDT

If it's not supported you might be out of luck. Here is a thread in this
regard:

http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2009-2010/2778.html

Using the CPU only version might be your only "fix".

Gianluca

On Sun, 13 Apr 2014, Sadegh Faramarzi Ganjabad wrote:

> Hello
>
> I'm trying to do Alchemical free-energy perturbation simulations. I keep getting this
> message;
>
> Charm++ fatal error:
> FATAL ERROR: Alchemical free-energy perturbation is not supported in CUDA version
>
> Does anybody know how can I fix this it?
>
> Thanks,
> Sadegh
>
>

-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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