[gmx-users] running in double precision

Rui Qiao ruiqiao at ews.uiuc.edu
Wed Aug 7 23:17:34 CEST 2002

Hi, list:
	I wish to run one of my simulation in double precision and see
what difference can I get. Previously I installed the single precision
version of Gromacs and this time I just re-compile the
"mdrun" program and leave other programs (e.g., grompp) unchanged. When I
run the double precision code, it says:

Getting Loaded...
Reading file init4.tpr, VERSION 3.0.5 (single precision)
Reading file init4.tpr, VERSION 3.0.5 (single precision)
Loaded with Money

	Does this mean that the code is still running in single precision
or simply tell me that the ".tpr" file is obtained from single precision

	Thanks a lot.



Rui Qiao
Research Assistant
Beckman Institute, UIUC

More information about the gromacs.org_gmx-users mailing list