Jing Li

3 Questions 5 Answers 0 Followers

Questions related from Jing Li

HPC performance in Gromacs ?

Hello all, I have a report as following, but I do not have any clear clue about what I have to do. If I change some default values for -dd/-dds/..., what I should expect and what I should be...

09 September 2017 2,450 1 View

Error during nvt: Not enough memory. Failed to allocate 3425307227 aligned elements of size 4 for grid->grid. What is happening?

The computer should have enough memory, but it failed. This error appeared when I tried to do a NVT simulation. The simulation box is 768.00000 768.00000 768.00000 [nm**3], in which there are 100...

04 April 2017 8,057 7 View

Hi all, Do you know some videos about the installation of Gromacs?

The guide in org is over me. An easier way to install it on my computer will be better for me. Thanks.

04 April 2016 6,603 0 View