On 17/10/2011 7:04 AM, Mirco Wahab wrote:
On 10/16/2011 2:25 PM, Mark Abraham wrote:
On 15/10/2011 9:02 PM, Mirco Wahab wrote:
On 10/15/2011 1:15 AM, Mark Abraham wrote:
I use
...
...
//Flags used by the compiler during all build types
CMAKE_CXX_FLAGS:STRING=' -msse2 -ip -funroll-all-loops -std=gnu99 '
//Flags used by the compiler during release builds.
CMAKE_CXX_FLAGS_RELEASE:STRING=-mtune=itanium2 -mtune=core2 -O3
-DNDEBUG
//Flags used by the compiler during all build types
CMAKE_C_FLAGS:STRING=' -msse2 -ip -funroll-all-loops -std=gnu99 '
//Flags used by the compiler during release builds.
CMAKE_C_FLAGS_RELEASE:STRING=-mtune=itanium2 -mtune=core2 -O3 -DNDEBUG
...
These are obviously the wrong flags for the detected architecture,
sse2 is no longer available and so are the the mtune architectures.
The correct options for the actual compiler for Intel64 would read:
CMAKE_CXX_FLAGS:STRING=' -msse3 -ip -funroll-all-loops -std=gnu99 '
CMAKE_CXX_FLAGS_RELEASE:STRING=-O3 -DNDEBUG
with some option-warnings but without error.
Sure. GROMACS will not benefit noticeably from the SSE3 instruction set,
so we don't bother looking for it.
OK, I can understand that. But if the options (-mtune ***, -msse2)
are not longer available with the actual free Intel Compiler suites,
shouldn't the cmake definitions be adapted to this fact in order
to avoid loads of compiler warnings?
If someone can identify a way to detect old and new, free and non-free
compiler suites then we might consider it. Reality is that GROMACS
spends a heavy majority of its time in loops written mostly in assembly
code (using SSE or SSE2 if applicable), or in the FFT library. Compiler
performance makes a negligible contribution to performance of the rest,
so it is really not worth while maintaining complex compiler tweaks.
But the install is broken. On `make install-mdrun`, the scripts would
remove any library from "src/gmxlib/CMakeFiles/CMakeRelink.dir"
and bail out with the error below. Even if you copy the libraries
by hand to CMakeRelink.dir/, the'll get removed by make install-mdrun
before trying to link with them.
...
That looks very weird. What cmake version? What does make install-mdrun
VERBOSE=1 say?
I'll attach the error messages err.msg, 5.9 KB).
- cmake version 2.8.3
- gcc 4.5.1 x64 (Linux) (20101208)
With cmake 2.8.2 and icc 12.1.0 20110811 using the aforementioned flags,
I get smooth installation of the git version of 4.5.5. Moreover, I don't
even get
.../build/src/gmxlib/CMakeFiles/CMakeRelink.dir
being created. So I think there is something idiosyncratic about your
tool chain that is at the root of this.
Mark
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