Dear all,
I just found that in Updates section (
http://ambermd.org/bugfixes12.html
) is already record of the
expected bugfix-18 announced recently by Ross.
i.e.
--------
bugfix.18: Fixes a number of issues with pmemd and pmemd.cuda:
Updates GPU code to v12.3
Adds check to prevent running ntb=2 with gamma_ln=0 and ntt=3 or 4.
Fixes Hamiltonian Replica Exchange on GPUs and CPUs in explicit solvent.
Fixes issue with nmropt DUMPAVE printing in pmemd for H-REMD.
Fixes extra-points support for the GLYCAM force field which was leading to
a segfault in pmemd and pmemd.cuda.
Improves stability for NPT simulations on GPUs.
Adds check to make sure code quits if skinnb would go negative in GPU
calculations due to large reductions in box size.
Fixes issues with restart of NPT simulations on GPUs in cases where the
box size had shrunk considerably.
Fixes minimizations on GPUs with the SPFP precision model by truncating
large forces that occur during the beginning of a minimization.
Changes pmemd.cuda and pmemd.cuda.MPI links to be relative instead of
absolute in AMBERHOME/bin directory.
Updates configure script to optimize for sm35 GPU hardware (Kepler II) in
cases where cuda v5.0 is detected.
Makes GTX680 output the gold standard for test cases.
Fixes incorrect timings that were reported at the end of a run with REMD
runs in pmemd.
--------
but it seems that this bugfix was not uploaded to the given server as
after the attempt
to click on the given link I have obtained this err.
------
Not Found
The requested URL /bugfixes/12.0/bugfix.18 was not found on this server.
Apache/2.2.3 (CentOS) Server at ambermd.org Port 80
------
So I assume that this bugfix was still not uploaded and will be soon, am I
right ?
Best wishes,
Marek
--
Tato zpráva byla vytvořena převratným poštovním klientem Opery:
http://www.opera.com/mail/
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Received on Sat Jun 01 2013 - 12:00:02 PDT
