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<pre style="MARGIN-TOP: 14pt; MARGIN-BOTTOM: 14pt">Hi everyone,
I have installed Gromacs<a></a> 4.5.5 following the online installation guide without and with mpi<a></a>.
My configure lines (after few tries) were:
./configure CC=/private/gnss<a></a>/local/bin/gcc<a></a> CXX<a></a>=/private/gnss<a></a>/local/bin/g++ --prefix=/private/gnss<a></a>/Gromacs_455<a></a> --disable-float --with-fft<a></a>=fftw3<a></a> --disable-shared --without-pic<a></a> --program-suffix=_d
./configure CC=/private/gnss<a></a>/local/bin/gcc<a></a> CXX<a></a>=/private/gnss<a></a>/local/bin/g++ --prefix=/private/gnss<a></a>/Gromacs_455<a></a> --disable-float --with-fft<a></a>=fftw3<a></a> --disable-shared --without-pic<a></a> --program-suffix=_d_mpi<a></a> --enable-mpi<a></a>
The binary files were created for both configurations but I get error messages in the config.log<a></a> files (see below) and I was wondering if these errors are critical.
error messages for the installation without mpi<a></a>:
conftest.c:20:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.c:20:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.c:40:13<a></a>: error: expected '=', ',', ';', 'asm<a></a>' or '__attribute__' before 'a'
conftest.c:54:4<a></a>: error: 'not' undeclared (first use in this function)
conftest.c:54:8<a></a>: error: expected ';' before 'big'
conftest.cpp:43:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.cpp:43:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.c:86:20<a></a>: fatal error: direct.h<a></a>: No such file or directory
conftest.c:53:20<a></a>: fatal error: direct.h<a></a>: No such file or directory
conftest.c:71:1<a></a>: error: void value not ignored as it ought to be
conftest.c:102:20<a></a>: error: expected expression before ')' token
conftest.c:110:13<a></a>: error: 'bool<a></a>' undeclared (first use in this function)
conftest.c:119:21<a></a>: error: expected expression before ')' token
conftest.c:89:20<a></a>: error: expected expression before ')' token
conftest.c:90:20<a></a>: error: expected expression before ')' token
conftest.c:91:27<a></a>: error: expected expression before ')' token
error messages for the installation with mpi<a></a>:
conftest.c:24:2<a></a>: error: #error not catamount
| #error not catamount
conftest.c:23:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.c:23:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.c:24:13<a></a>: error: expected '=', ',', ';', 'asm<a></a>' or '__attribute__' before 'a'
conftest.c:38:4<a></a>: error: 'not' undeclared (first use in this function)
conftest.c:38:8<a></a>: error: expected ';' before 'big'
/private/gnss<a></a>/local/bin/gcc<a></a>: error trying to exec '/private/gnss<a></a>/local/bin/x86_64<a></a>-unknown-linux<a></a>-gnu-gcc<a></a>--I/opt/intel<a></a>/impi<a></a>/<a href="http://3.2.2.006/include64" target="_blank">3.2.2.006/include64</a><a></a>': execvp<a></a>: No such file or directory
conftest.cpp:27:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.cpp:27:28<a></a>: fatal error: ac_nonexistent.h<a></a>: No such file or directory
conftest.c:70:20<a></a>: fatal error: direct.h<a></a>: No such file or directory
conftest.c:37:20<a></a>: fatal error: direct.h<a></a>: No such file or directory
conftest.c:55:1<a></a>: error: void value not ignored as it ought to be
conftest.c:86:20<a></a>: error: expected expression before ')' token
conftest.c:94:13<a></a>: error: 'bool<a></a>' undeclared (first use in this function)
conftest.c:103:21<a></a>: error: expected expression before ')' token
conftest.c:73:20<a></a>: error: expected expression before ')' token
conftest.c:74:20<a></a>: error: expected expression before ')' token
conftest.c:75:27<a></a>: error: expected expression before ')' token
I saw some of these errors in gromacs<a></a> mailing list but couldn't understand if these errors were eventually solved and how.
Thanks, Efrat<a></a>
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