我尝试在较新的11Aug17版本的部门计算机上安装lammps。但是,mpicxx为以下行提供了错误:
mpicxx -g -O3 -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/home/shixx597/codes/kim-api-v1.7.3/lib/kim-api-v1/include -c ../pair_list.cpp
../pair_list.cpp(88): error: expected a ";"
const dbl3_t * _noalias const x = (dbl3_t *) atom->x[0];
^
../pair_list.cpp(89): error: "restrict" has already been declared in the current scope
dbl3_t * _noalias const f = (dbl3_t *) atom->f[0];
^
../pair_list.cpp(89): error: expected a ";"
dbl3_t * _noalias const f = (dbl3_t *) atom->f[0];
^
../pair_list.cpp(114): error: identifier "x" is undefined
const double dx = x[i].x - x[j].x;
^
../pair_list.cpp(160): error: identifier "f" is undefined
f[i].x += dx*fpair;
^
../pair_list.cpp(166): error: identifier "f" is undefined
f[j].x -= dx*fpair;
^
compilation aborted for ../pair_list.cpp (code 2)
make[1]: *** [pair_list.o] Error 2
make[1]: Leaving directory `/home/shixx597/codes/lammps-11Aug17/src/Obj_mpi'
make: *** [mpi] Error 2
我的同事告诉我,这是openmpi的问题。因此,我尝试为我安装一个新的openmpi。但是,我收到以下错误告诉我,没有像这样安装automake:
cd . && /bin/sh /home/shixx597/codes/openmpi-3.0.0/config/missing automake-1.15 --foreign
/home/shixx597/codes/openmpi-3.0.0/config/missing: line 81: automake-1.15: command not found
WARNING: 'automake-1.15' is missing on your system.
You should only need it if you modified 'Makefile.am' or
'configure.ac' or m4 files included by 'configure.ac'.
The 'automake' program is part of the GNU Automake package:
<http://www.gnu.org/software/automake>
It also requires GNU Autoconf, GNU m4 and Perl in order to run:
<http://www.gnu.org/software/autoconf>
<http://www.gnu.org/software/m4/>
<http://www.perl.org/>
make: *** [Makefile.in] Error 1
When I tried to install automake-1.15, I get the following error:
CDPATH="${ZSH_VERSION+.}:" && cd . && "/home/shixx597/codes/automake-1.15/t/wrap/aclocal-1.15"
Can't locate /home/shixx597/codes/automake-1.15/bin/aclocal in @INC (@INC contains: /usr/local/lib64/perl5 /usr/local/share/perl5 /usr/lib64/perl5/vendor_perl /usr/share/perl5/vendor_perl /usr/lib64/perl5 /usr/share/perl5 .) at /home/shixx597/codes/automake-1.15/t/wrap/aclocal-1.15 line 29.
make: *** [aclocal.m4] Error 2
我没有任何sudo特权,无法在此奇怪的部门计算机上执行任何操作。
即使我试图完成在部门机器上安装lammps的操作,我也在想是否可以完成大型绑定力场模型的运行。
实际上,这是一个众所周知的问题,并且有三个解决方案。
-restrict
编译时使用标志(我假设在运行make时将其附加make CXX_FLAGS=-restrict
如果您真的想尝试,也可以尝试_noalias
使用sed或awk从两个有问题的文件中删除关键字:pair_list.h
和pair_list.cpp
,或者只是将其定义_noalias
为空关键字,如jww在评论中所建议。
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我来说两句