[gmx-users] Install error for gmx-4.5_beta1 using intel compiler (double precision)
양창원
sht_ycw79 at hotmail.com
Mon Aug 2 08:53:55 CEST 2010
Hi!
My system is CentOS 5.5 (Intel quadcore nehalem), intel c++ compiler 11.0 , fftw 3.2.2
Installation procedure is
export CPPFLAGS="-I/usr/local/fftw3/include"
export CPPFLAGS="-I/usr/local/fftw3/lib"
./configure --prefix=/usr/local/gmx4.5_bera --with-fft=fftw3 --enable-double
make -j 4
make install
Error message is
icc -DHAVE_CONFIG_H -I. -I../../../../src -I../../../../include -DGMXLIBDIR=\"/usr/local/gromacs4.5_beta/share/top\" -I/usr/local/fftw3_intel/include -I/usr/local/include -axSSE4.2 -no-ipo -w -no-prec-div -O3 -pthread -I./include -MT nb_kernel_allvsall_sse2_double.lo -MD -MP -MF .deps/nb_kernel_allvsall_sse2_double.Tpo -c nb_kernel_allvsall_sse2_double.c -o nb_kernel_allvsall_sse2_double.o
../../../../include/gmx_sse2_double.h(848): error: expression must have arithmetic type
dvdatmp = _mm_mul_pd(half,(vgb+ftmp*r));
^
../../../../include/gmx_sse2_double.h(848): error: expression must have arithmetic type
dvdatmp = _mm_mul_pd(half,(vgb+ftmp*r));
^
../../../../include/gmx_sse2_double.h(848): error: expression must have arithmetic or pointer type
dvdatmp = _mm_mul_pd(half,(vgb+ftmp*r));
^
../../../../include/gmx_sse2_double.h(913): error: expression must have arithmetic type
dvdatmp = _mm_mul_pd(half,(vgb+ftmp*r));
^
../../../../include/gmx_sse2_double.h(913): error: expression must have arithmetic type
dvdatmp = _mm_mul_pd(half,(vgb+ftmp*r));
^
../../../../include/gmx_sse2_double.h(913): error: expression must have arithmetic or pointer type
dvdatmp = _mm_mul_pd(half,(vgb+ftmp*r));
^
compilation aborted for nb_kernel_allvsall_sse2_double.c (code 2)
make[5]: *** [nb_kernel_allvsall_sse2_double.lo] error 1
make[5]: Leaving directory `/root/Desktop/gromacs/gromacs-4.5-beta1/src/gmxlib/nonbonded/nb_kernel_x86_64_sse2'
make[4]: *** [all-recursive] error 1
make[4]: Leaving directory `/root/Desktop/gromacs/gromacs-4.5-beta1/src/gmxlib/nonbonded'
make[3]: *** [all-recursive] error 1
make[3]: Leaving directory `/root/Desktop/gromacs/gromacs-4.5-beta1/src/gmxlib'
make[2]: *** [all-recursive] error 1
make[2]: Leaving directory `/root/Desktop/gromacs/gromacs-4.5-beta1/src'
make[1]: *** [all] error 2
make[1]: Leaving directory `/root/Desktop/gromacs/gromacs-4.5-beta1/src'
make: *** [all-recursive] error 1
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