Thank you for pointing out that.
I was using regression test 4.6
Now, I tested 4.6.1 regression tests. single precision is fine.
Double precision produced two failed tests:
vdwalone:
??--[ 13:21:13 ]--\> $ more checkpot.out
comparing energy file reference_d.edr and ener.edr
There are 40
Were you using the 4.6.1 regression test package?
Mark
On May 3, 2013 7:53 PM, "José Luis Gordillo Ruiz"
wrote:
> Hi,
>
> I just built gromacs 4.6.1 with intel compilers 13.0.1 on a machine with
> Intel E5 2600 CPUs
>
> After run the regression tests in single precision, I had two failed tests
>
Hi,
I just built gromacs 4.6.1 with intel compilers 13.0.1 on a machine with Intel
E5 2600 CPUs
After run the regression tests in single precision, I had two failed tests
(coulandvdwtogether and vdwalone).
Both of them reported this: "Different warnings in reference.warn and
grompp.warn" and t
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