[gmx-developers] set_mm_ps - compiler warning

Roland Schulz roland at utk.edu
Tue Oct 5 00:10:04 CEST 2010


any objections to replace all __m128 initialization with _mm_set_ps?
-    const __m128 half  = {0.5,0.5,0.5,0.5};
+    const __m128 half  = _mm_set_ps(0.5,0.5,0.5,0.5);

This makes it compile on PGI. (I also think the initialization is otherwise
not standard conform).

But do we actually want to support all compilers (i.e. PGI)? Since compiler
bugs are more common than one would wish, I'm not sure it is a
good situation that users are using a compilers which haven't been
tested/used by any developer. Since the test-suite is currently suboptimal
the administrator installing GROMACS has no way to check whether the
installation is OK. I think this is important because many supercomputers
here in the US have PGI as the default compiler. Most I've checked have
GROMACS installed (still 4.0.7) and usually compiled with PGI.

Thus I suggest that we add a warning to configure/cmake if the compiler is
not gcc, icc, or xlc. I had before problems with PGI (don't remember
version) and I know GROMACS doesn't compile currently with Pathscale or
Open64 (both internal compiler errors). Independent of this I suggest to
change the initialization to _mm_set_ps to be standard conforming.


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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