[gmx-users] failure during compiling gromacs 4.5.5

Szilárd Páll szilard.pall at cbr.su.se
Mon Oct 24 21:41:41 CEST 2011


The error messages are all referring to SSE 4.1 packed integer min/max
operations not being recognized. I assume that these were enabled by
the "-xHOST" compiler option, and icc automatically generated these
instructions - the files it's complaining about are even temporary

Could it be that you have a broken installation of Intel Compilers on
your cluster? You could check if it works if you remove -xHOST or
explicitly state -xSSE4.1.

Just for curiosity, what are the issues with the Intel Compiler 2011
(I assume that's 12.x) + OpenMPI?


On Mon, Oct 24, 2011 at 4:53 PM, Ye MEI <ymei at itcs.ecnu.edu.cn> wrote:
> Dear Gromacs users,
> I am trying to install gromacs on my cluster using Intel Compiler 11.1.072
> and FFTW3. But I met the following error message
>  icc -DHAVE_CONFIG_H -I. -I../../../src -I/usr/include/libxml2 -I../../../include -I/usr/local/include -xHOST -I/home/users/ymei/software/fftw3/intel/include -pthread -I./include -MT type.lo -MD -MP -MF .deps/type.Tpo -c type.c -o type.o
> /tmp/iccLPSVQqas_.s: Assembler messages:
> /tmp/iccLPSVQqas_.s:92: Error: no such instruction: `pmaxsb %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:100: Error: no such instruction: `pmaxsb (%r8,%rdx),%xmm0'
> /tmp/iccLPSVQqas_.s:228: Error: no such instruction: `pminsb %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:236: Error: no such instruction: `pminsb (%r8,%rdx),%xmm0'
> /tmp/iccLPSVQqas_.s:2559: Error: no such instruction: `pmaxsd %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:2567: Error: no such instruction: `pmaxsd (%rdx,%r9,4),%xmm0'
> /tmp/iccLPSVQqas_.s:2709: Error: no such instruction: `pminsd %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:2717: Error: no such instruction: `pminsd (%rdx,%r9,4),%xmm0'
> /tmp/iccLPSVQqas_.s:2989: Error: no such instruction: `pmulld %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:2997: Error: no such instruction: `pmulld (%rdx,%rax,4),%xmm0'
> /tmp/iccLPSVQqas_.s:7009: Error: no such instruction: `pmaxsb %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:7017: Error: no such instruction: `pmaxsb (%r8,%rdx),%xmm0'
> /tmp/iccLPSVQqas_.s:7145: Error: no such instruction: `pminsb %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:7153: Error: no such instruction: `pminsb (%r8,%rdx),%xmm0'
> /tmp/iccLPSVQqas_.s:9313: Error: no such instruction: `pmaxuw %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:9321: Error: no such instruction: `pmaxuw (%rdx,%r9,2),%xmm0'
> /tmp/iccLPSVQqas_.s:9463: Error: no such instruction: `pminuw %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:9471: Error: no such instruction: `pminuw (%rdx,%r9,2),%xmm0'
> /tmp/iccLPSVQqas_.s:10621: Error: no such instruction: `pmaxud %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:10629: Error: no such instruction: `pmaxud (%rdx,%r9,4),%xmm0'
> /tmp/iccLPSVQqas_.s:10771: Error: no such instruction: `pminud %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:10779: Error: no such instruction: `pminud (%rdx,%r9,4),%xmm0'
> /tmp/iccLPSVQqas_.s:11051: Error: no such instruction: `pmulld %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:11059: Error: no such instruction: `pmulld (%rdx,%rax,4),%xmm0'
> /tmp/iccLPSVQqas_.s:15514: Error: no such instruction: `pmaxsb %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:15522: Error: no such instruction: `pmaxsb (%r8,%rdx),%xmm0'
> /tmp/iccLPSVQqas_.s:15650: Error: no such instruction: `pminsb %xmm0,%xmm1'
> /tmp/iccLPSVQqas_.s:15658: Error: no such instruction: `pminsb (%r8,%rdx),%xmm0'
> make[4]: *** [type.lo] Error 1
> make[4]: Leaving directory `/home/users/ymei/software/gromacs-4.5.5/src/gmxlib/thread_mpi'
> make[3]: *** [all-recursive] Error 1
> make[3]: Leaving directory `/home/users/ymei/software/gromacs-4.5.5/src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/home/users/ymei/software/gromacs-4.5.5/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/home/users/ymei/software/gromacs-4.5.5/src'
> make: *** [all-recursive] Error 1
> I have never seen this kind of error message before, and I donot know what
> to do to solve this problem. Can anyone help me out?
> Intel Compiler 2011 is ok. But this version does not work well with my
> cluster, especially with openmpi.
> And the following information might be helpful.
> ymei at CLOUD@ECNU:~/software/gromacs-4.5.5> gcc -v
> Using built-in specs.
> Target: x86_64-suse-linux
> Configured with: ../configure --enable-threads=posix --prefix=/usr --with-local-prefix=/usr/local --infodir=/usr/share/info --mandir=/usr/share/man --libdir=/usr/lib64 --libexecdir=/usr/lib64 --enable-languages=c,c++,objc,fortran,obj-c++,java,ada --enable-checking=release --with-gxx-include-dir=/usr/include/c++/4.1.2 --enable-ssp --disable-libssp --disable-libgcj --with-slibdir=/lib64 --with-system-zlib --enable-shared --enable-__cxa_atexit --enable-libstdcxx-allocator=new --program-suffix= --enable-version-specific-runtime-libs --without-system-libunwind --with-cpu=generic --host=x86_64-suse-linux
> Thread model: posix
> gcc version 4.1.2 20070115 (SUSE Linux)
> ymei at CLOUD@ECNU:~/software/gromacs-4.5.5> cat /etc/SuSE-release
> SUSE Linux Enterprise Server 10 (x86_64)
> VERSION = 10
> Thank you in advance.
> Ye
> --
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