run on sungle node

From: Alexander Tzanov (
Date: Wed Jun 24 2015 - 09:56:18 CDT

 Dear all,

I am trying to run NAMD 2.10 with CUDA support on single virtual node. My CUDA is 6.5.14. I am running
on IB cluster which runs PBS pro ver. I want to run on a single virtual node with
4 CPU cores and 2 GPU (the CPU itself has 16 cores). I compiled NAMD with cuda support
(mpi, smp CHARMM++ underneath). However when the NAMD cannot address more than one core.

As a result I get error “ Not enough slots”. Does anyone see the problem and if so to share his/her experience.

Thank you


Celebrate the World of Peptide Chemistry and Biology. Register today for the Symposium in Honor of the Scientific Contributions of Dr. Fred Naider><>

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:21:11 CST