Messages

1

General Questions and Answers / Re: Calculation Out-Of-Memory

« on: November 21, 2018, 17:03 »

Hello.
Firstly thank you for the reply.
Actually, I did calculations on our lab's server and previously when I assigned 22 cores it also got out-of-memory. Anyway, I will modify some structure and try it again.
Thanks!

2

General Questions and Answers / Calculation Out-Of-Memory

« on: November 21, 2018, 03:48 »

Dear experts,
Hello. From some time ago, I started to run a PLDOS calculation of Tellurium nanowire FET, which is built based on the article 'Silicon nanowire field-effect-transistor' at Quantumwise webpage (https://docs.quantumwise.com/tutorials/silicon_nanowire/silicon_nanowire.html).  When I repeated the silicon nanowire example with our lab's computer, it ran well without error. However, with my newly created one it continuously put error message 'Out-Of-Memory' and very recently the program just stop without any error message. So, I tried to lower the energy or do not add the VanderWaals effect or the basis to lower the memory but it did not quite work.  I used MPI with 4 cores so that it could share the memory and I did not try the serial calculation yet. The log file and script file is posted. Would you mind finding what is the problem here?
Thanks!