I've opened http://redmine.gromacs.org/issues/1259 to discuss this issue.
All users are warned that such issues are possible, and if you don't run
the regression test suite, you can be at the mercy of a buggy compiler!
Mark
On Tue, May 21, 2013 at 2:35 PM, Mark Abraham wrote:
> http://gcc.gnu.o
http://gcc.gnu.org/bugzilla/show_bug.cgi?id=49002 looks like it might be
the issue - fixed between gcc 4.6.1 and 4.6.2. If Vishal would like to
update his gcc to the latest version (which we always recommend, because
such issues are distressingly frequent), then he should be able to take
advantage
On 5/21/13 5:41 AM, Vishal Kumar Jaiswal wrote:
Following your advice I compiled gromacs with DGMX_CPU_ACCELERATION=SSE4.1
and now it is working :) . Thanks a lot
I suggested this as a diagnostic measure (not a fix), and it is good that it is
working properly, but is also indicative of a pr
Following your advice I compiled gromacs with DGMX_CPU_ACCELERATION=SSE4.1
and now it is working :) . Thanks a lot
- Vishal
Undergraduate Student
Department of Chemistry
Indian Institute of Technology Guwahati
On Tue, May 21, 2013 at 7:45 AM, Justin Lemkul wrote:
>
>
> On 5/20/13 9:00 AM, Vish
On 5/20/13 9:00 AM, Vishal Kumar Jaiswal wrote:
LAPTOP- WORKING
PC -NOT WORKING
Gromacs version:VERSION 4.6.1
VERSION 4.6.1
Precision: single
LAPTOP- WORKING
PC -NOT WORKING
Gromacs version:VERSION 4.6.1
VERSION 4.6.1
Precision: single
same
Memory model: 32 bit
On 5/20/13 2:29 AM, Vishal Kumar Jaiswal wrote:
I am trying to complete the lysozyme in water tutorial in gromacs 4.6.1 and
i am getting this error in the energy minimization step
I was able to complete the entire tutorial on another computer ( my
personal laptop) . ( I was getting the same err
I am trying to complete the lysozyme in water tutorial in gromacs 4.6.1 and
i am getting this error in the energy minimization step
I was able to complete the entire tutorial on another computer ( my
personal laptop) . ( I was getting the same error while doing energy
minimization on another system
8 matches
Mail list logo