[gmx-users] Error while compiling GROMACS 2018

[Yongchul Chung]

Hi,

I am trying to install the latest release of GROMACS 2018 on Mac OS X
HighSierrra and ran into the following error message.

cmake worked without errors so this looks strange.

Any help would be appreciated.

Greg


ygchung at Yongchuls-MacBook-Pro:*~/Desktop/codes/gromacs/build*$ make

[  1%] Built target fftwBuild

[  2%] Built target tng_io_obj

[  2%] *Generating git version information*

[  2%] Built target git-version-info

[  2%] Built target tng_io_zlib

[  2%] Building CXX object
src/gromacs/CMakeFiles/libgromacs.dir/listed-forces/bonded_2.cpp.o

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:985:20: **error: **expected '(' for function-style cast or type
construction*

    GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)    ai[GMX_SIMD_REAL_WIDTH];

*                ~~~^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:986:20: **error: **expected '(' for function-style cast or type
construction*

    GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)    aj[GMX_SIMD_REAL_WIDTH];

*                ~~~^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:987:20: **error: **expected '(' for function-style cast or type
construction*

    GMX_ALIGNED(int, GMX_SIMD_REAL_WIDTH)    ak[GMX_SIMD_REAL_WIDTH];

*                ~~~^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:988:17: **error: **unexpected type name 'real': expected expression*

    GMX_ALIGNED(real, GMX_SIMD_REAL_WIDTH)   coeff[2*GMX_SIMD_REAL_WIDTH];

*                ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1008:17: **error: **unexpected type name 'real': expected expression*

    GMX_ALIGNED(real, GMX_SIMD_REAL_WIDTH)
pbc_simd[9*GMX_SIMD_REAL_WIDTH];

*                ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1010:23: **error: **use of undeclared identifier 'pbc_simd'*

    set_pbc_simd(pbc, pbc_simd);

*                      ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1022:13: **error: **use of undeclared identifier 'ai'*

            ai[s] = forceatoms[iu+1];

*            ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1023:13: **error: **use of undeclared identifier 'aj'*

            aj[s] = forceatoms[iu+2];

*            ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1024:13: **error: **use of undeclared identifier 'ak'*

            ak[s] = forceatoms[iu+3];

*            ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1029:17: **error: **use of undeclared identifier 'coeff'*

                coeff[s]                     =
forceparams[type].harmonic.krA;

*                ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1030:17: **error: **use of undeclared identifier 'coeff'*

                coeff[GMX_SIMD_REAL_WIDTH+s] =
forceparams[type].harmonic.rA;

*                ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1039:17: **error: **use of undeclared identifier 'coeff'*

                coeff[s]                     = 0;

*                ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1040:17: **error: **use of undeclared identifier 'coeff'*

                coeff[GMX_SIMD_REAL_WIDTH+s] = 0;

*                ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1045:68: **error: **use of undeclared identifier 'ai'*

        gatherLoadUTranspose<3>(reinterpret_cast<const real *>(x), ai,
&xi_S, &yi_S, &zi_S);

*                                                                   ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1046:68: **error: **use of undeclared identifier 'aj'*

        gatherLoadUTranspose<3>(reinterpret_cast<const real *>(x), aj,
&xj_S, &yj_S, &zj_S);

*                                                                   ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1047:68: **error: **use of undeclared identifier 'ak'*

        gatherLoadUTranspose<3>(reinterpret_cast<const real *>(x), ak,
&xk_S, &yk_S, &zk_S);

*                                                                   ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1055:36: **error: **use of undeclared identifier 'coeff'*

        k_S       = load<SimdReal>(coeff);

*                                   ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1056:36: **error: **use of undeclared identifier 'coeff'*

        theta0_S  = load<SimdReal>(coeff+GMX_SIMD_REAL_WIDTH) * deg2rad_S;

*                                   ^*

*/Users/ygchung/Desktop/codes/gromacs/src/gromacs/listed-forces/bonded
2.cpp:1058:56: **error: **use of undeclared identifier 'pbc_simd'*

        pbc_correct_dx_simd(&rijx_S, &rijy_S, &rijz_S, pbc_simd);

*                                                       ^*

*fatal error: *too many errors emitted, stopping now [-ferror-limit=]

20 errors generated.

make[2]: ***
[src/gromacs/CMakeFiles/libgromacs.dir/listed-forces/bonded_2.cpp.o] Error 1

make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2

make: *** [all] Error 2