GROMACS development

07/15/2016

11:41 PM GROMACS Bug #2008 (Closed): -msse2 not passed to compiler flags with -DGMX_SIMD=SSE2

The -msse2 compiler flag is not properly passed down when specifying GMX_SIMD=SSE2, due to two missing lines in commi...

07:55 PM GROMACS Bug #1987: Test suite failures on several less-common architectures

At least as of 2016-rc1, CpuInfoTest.SupportLevel is still a hard failure.
Example on mips: https://buildd.debian....

07/06/2016

03:44 AM GROMACS Bug #1988: Double-precision SIMD test failure on powerpc

All "make check" tests pass successfully with a release-2016 checkout as of Mark's commit 49b323e on a ppc64 Power8 h...

07/01/2016

02:39 AM GROMACS Bug #1986: Test failures on i386 in NormalDistributionTest

Mark Abraham wrote:
> Which test cases fail in double precision, please?
* TabulatedNormalDistributionTableTest.H...

06/30/2016

01:33 AM GROMACS Bug #1930: TabulatedNormalDistributionTest.OutputDouble14 and SimdScalarTest.andNotI tests fail on i686

I can also reproduce the above on an x86 Debian build host with similar properties, but in double precision only. Ad...

01:13 AM GROMACS Bug #1986: Test failures on i386 in NormalDistributionTest

In the two affected tests, replacing EXPECT_EQ with EXPECT_FLOAT_EQ allows the test to pass again. This seems like a...

06/19/2016

01:54 AM GROMACS Bug #1988: Double-precision SIMD test failure on powerpc

It did not pass with 5.1.3 either. Build logs: https://buildd.debian.org/status/fetch.php?pkg=gromacs&arch=powerpc&v...

06/17/2016

01:05 AM GROMACS Bug #1986: Test failures on i386 in NormalDistributionTest

I see that 5951 has already been abandoned, but just to confirm: no, that patch does not affect the issue.

06/09/2016

10:25 PM GROMACS Bug #1987: Test suite failures on several less-common architectures

hwloc 1.11.3 for all builds.
Between this and the other failures, beta2 is only successfully building on 3 of the ...

06:24 PM GROMACS Bug #1988 (Closed): Double-precision SIMD test failure on powerpc

Last beta 2 build issue for now!
This is a power8 PPC machine. These failures are only on the double-precision bu...