<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<div class="moz-cite-prefix">Hi,<br>
<br>
I think that in many cases the single precision force computation
is not what is limiting the accuracy. It is rather the integration
and in particular the constraints using single precision. Another
solution is to have integration and constraints in double
precision and (parts of) the force computation in single
precision.<br>
<br>
Cheers,<br>
<br>
Berk<br>
<br>
On 7/31/19 4:35 PM, David Lister wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CADHrifXieUuRPK4fDFKWf_OFV7Hw9KFHq+r9fRHXr7xj=n4V4A@mail.gmail.com">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div>Hello,</div>
<div><br>
</div>
<div>Sorry this isn't part of the email thread from earlier, I
found the thread in the archives and decided to chime in. Not
sure how to reply to old threads, but the link is here for
consistency. <a
href="https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-developers/2019-July/010488.html"
moz-do-not-send="true">https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-developers/2019-July/010488.html</a></div>
<div><br>
</div>
<div>I am also be very interested in having double precision
supported on GPUs. I'm using gromacs for a project that
stretches the target use case and have found the single
precision just doesn't give good results. The same simulation
run in both single and double gives different results, with
the double precision simulation giving the results expected by
theory. Unfortunately though, double precision is much slower.</div>
<div><br>
</div>
<div>Having GPU support for double precision would be a really
big help for me as well.<br>
</div>
<div><br>
</div>
<div>Cheers,</div>
<div>David<br>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
</blockquote>
<br>
</body>
</html>