VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Wed Aug 28 2019 - 10:09:27 CDT

Hi Camps,

Use linux. :) You are running into the limitations of 32-bit programs not being able to address more than 2^32-1 bits of memory, which is around 4GB of allocated memory. There are no 64-bit windows builds that I'm aware of, so all the windows users have to be very careful with how much trajectory they are loading at once. In your case, it sounds like you could load every other frame (3000 total), and fit under the memory limitations for the program.

-Josh

On 2019-08-28 07:39:51-06:00 owner-vmd-l_at_ks.uiuc.edu wrote:

Dear all,
I installed VMD (v1.9.3) in my box running both Linux (Ubuntu Disco 19.04) and Windows 10 Pro, both 64bit versions. (My laptop is a Dell G3 with 8GB RAM a,d NVIDIA 1050Ti with 4GB RAM).
I am trying to analyze the trajectories from a DESMOND run. There are more than 6000 frames (simulation time of 130ns).
The problem is that loading in Linux is ok, but loading in Windows result in an error around frame 4000 that just close the program with a runtime error.
Is there any solution for this issue?
Regards,

Camps