VMD-L Mailing List

From: I. Camps (icamps_at_gmail.com)
Date: Wed Mar 30 2022 - 20:04:47 CDT

Hello,

I am trying to load some trajectories from NAMD calculation. In the middle
of loading, VMD just gets killed.

My config is a Dell laptop running Ubuntu 2021.10, 64 bits with 8GB RAM and
GPU Nvidia 1050Ti with 4GB RAM.

Below is the info when loading the trajectory.

Is this a memory issue?

Regards,

Camps

*Info) VMD for LINUXAMD64, version 1.9.4a55 (October 18, 2021)Info)
http://www.ks.uiuc.edu/Research/vmd/ <http://www.ks.uiuc.edu/Research/vmd/>
                        Info) Email questions and bug reports to
vmd_at_ks.uiuc.edu <vmd_at_ks.uiuc.edu> Info) Please include this
reference in published work using VMD: Info) Humphrey, W., Dalke, A.
and Schulten, K., `VMD - Visual Info) Molecular Dynamics', J. Molec.
Graphics 1996, 14.1, 33-38.Info)
-------------------------------------------------------------Info)
Multithreading available, 12 CPUs, ISA dispatch enabled.Info) CPU
features: SSE2 SSE4.1 AVX AVX2 FMA F16 HT Info) Free system memory: 4605MB
(59%)Info) Creating CUDA device pool and initializing hardware...Info)
Detected 1 available CUDA accelerator::Info) [0] NVIDIA GeForce GTX 1050 Ti
 6 SM_6.1 1.6 GHz, 3.9GB RAM SP32 KT AE2 ZCInfo) OpenGL renderer: NVIDIA
GeForce GTX 1050 Ti/PCIe/SSE2Info) Features: STENCIL MSAA(4) MDE CVA MTX
NPOT PP PS GLSL(OVFGS) Info) Full GLSL rendering mode is available.Info)
  Textures: 2-D (32768x32768), 3-D (16384x16384x16384), Multitexture
(4)Info) Detected 1 available TachyonL/OptiX ray tracing acceleratorInfo)
Compiling OptiX shaders on 1 target GPU...Info) Dynamically loaded 3
plugins in directory:Info)
/software/vmd/plugins/LINUXAMD64/molfileafter#0vmd > psfplugin) Detected a
Charmm PSF filepsfplugin) Detected a Charmm PSF EXTEnded fileInfo) Using
plugin psf for structure file
/home/icamps/Quantum_Chemistry/Yamini_Pathak/MD_outputs/01_1JDH_200ns.psfInfo)
Analyzing structure ...Info) Atoms: 437660Info) Bonds: 436897Info)
 Angles: 157515 Dihedrals: 21174 Impropers: 1451 Cross-terms: 506Info)
 Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0Info)
 Residues: 144292Info) Waters: 142962Info) Segments: 4Info)
 Fragments: 143785 Protein: 1 Nucleic: 0dcdplugin) detected standard
32-bit DCD file of native endiannessdcdplugin) CHARMM format DCD file (also
NAMD 2.1 and later)*