Yep, my mistake, I built the serial version using gcc previously, so the problem really _is_ in Intel's compiler. I've finally figured out how to make mpicc use gcc instead of Intel, so now I have a working MPI version of GROMACS.<br>
<br>Thank you again,<br>Vasilii<br><br><div class="gmail_quote">2008/4/28 Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>>:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>
I get the same issue with GROMACS 3.3.2 and 3.3.3 on my Itanium2 system using Intel 10.1 icc, and I also get them even without --enable-mpi, e.g.<br>
<br>
../configure --program-suffix=_3.3.3_single --with-fft=fftw2 --with-external-blas --with-external-lapack LIBS="-L/opt/fftw-2.1.5/intel-9.1/lib -lscs"<br>
<br>
then make gives<br>
<br>
/bin/sh ../../../../libtool --mode=compile icc -DHAVE_CONFIG_H -I. -I../../../../src -I../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single -I../../../../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3 -w -funroll-all-loops -MT nb_kernel010_ia64_single.lo -MD -MP -MF .deps/nb_kernel010_ia64_single.Tpo -c -o nb_kernel010_ia64_single.lo ../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single/nb_kernel010_ia64_single.S<br>
icc -DHAVE_CONFIG_H -I. -I../../../../src -I../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single -I../../../../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3 -w -funroll-all-loops -MT nb_kernel010_ia64_single.lo -MD -MP -MF .deps/nb_kernel010_ia64_single.Tpo -c ../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single/nb_kernel010_ia64_single.S -o nb_kernel010_ia64_single.o<br>
/tmp/iccEJOKXd.s(1) : error A2040: Unexpected token: Unary Diez Operator at: Start<br>
...etc<br>
<br>
Running the above icc by hand with -O0 also fails in the same way.<div><div></div><div class="Wj3C7c"><br>
<br>
Mark<br>
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