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楼主 Author: wmg166
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[VASP] 求教大神,想查看intel编译器目录,怎样找到路径?

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发表于 Post on 2023-8-11 20:30:41 | 只看该作者 Only view this author
wmg166 发表于 2023-8-11 17:14
太好了  ,谢谢大神指导,我接下来打算安装 vasp软件。

我看你第一个帖子里贴图是 vasp 6.1.2 ?

如果你的老师买了版权,建议下载最新的 vasp 6.4.1

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 楼主 Author| 发表于 Post on 2023-8-16 17:01:07 | 只看该作者 Only view this author
大神  解压vasp 6.1.2后,运行 make std   或者 make all 出错,咋办?

[root@localhost ~]# cd /opt/vasp.6.1.2/
bash: cd: /opt/vasp.6.1.2/: No such file or directory
[root@localhost ~]# cd /opt
[root@localhost opt]# ls
intel  parallel_studio_xe_2018_cluster_edition  rh  software  vasp.6.1.2_patched
[root@localhost opt]# cd  vasp.6.1.2_patched
[root@localhost vasp.6.1.2_patched]# ls
arch  bin  build  makefile  README.md  src  testsuite  tools
[root@localhost vasp.6.1.2_patched]# cp arch/makefile.include.linux.intel.
cp: missing destination file operand after 鈇rch/makefile.include.linux.intel.?
Try 'cp --help' for more information.
[root@localhost vasp.6.1.2_patched]# cp arch/makefile.include.linux_intel.
cp: missing destination file operand after 鈇rch/makefile.include.linux_intel.?
Try 'cp --help' for more information.
[root@localhost vasp.6.1.2_patched]# cp arch/makefile.include.linux_intel .
[root@localhost vasp.6.1.2_patched]# ls
arch  bin  build  makefile  makefile.include.linux_intel  README.md  src  testsuite  tools
[root@localhost vasp.6.1.2_patched]# mv makefile.include.linux_intel makefile.include  
[root@localhost vasp.6.1.2_patched]# make std
if [ ! -d build/std ] ; then mkdir build/std  ; fi; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
make[1]: Entering directory '/opt/vasp.6.1.2_patched/build/std'
rsync -ru ../../src/lib .
make[1]: rsync: Command not found
make[1]: *** [makefile:154: lib] Error 127
make[1]: Leaving directory '/opt/vasp.6.1.2_patched/build/std'
make: *** [makefile:6: std] Error 2
[root@localhost vasp.6.1.2_patched]# make all
if [ ! -d build/std ] ; then mkdir build/std  ; fi; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
make[1]: Entering directory '/opt/vasp.6.1.2_patched/build/std'
rsync -ru ../../src/lib .
make[1]: rsync: Command not found
make[1]: *** [makefile:154: lib] Error 127
make[1]: Leaving directory '/opt/vasp.6.1.2_patched/build/std'
make: *** [makefile:6: std] Error 2
[root@localhost vasp.6.1.2_patched]#

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 楼主 Author| 发表于 Post on 2023-8-16 17:24:50 | 只看该作者 Only view this author
wmg166 发表于 2023-8-16 17:01
大神  解压vasp 6.1.2后,运行 make std   或者 make all 出错,咋办?

[root@localhost ~]# cd /opt/v ...

我 yum install rsync
运行  make std
出现提示:
make[3]: *** [makefile:31: sites.o] Error 2
make[3]: Leaving directory '/opt/vasp.6.1.2_patched/build/std/parser'
make[2]: *** [makefile:12: all] Error 2
make[2]: Leaving directory '/opt/vasp.6.1.2_patched/build/std/parser'
make[1]: *** [makefile:156: parser] Error 2
make[1]: Leaving directory '/opt/vasp.6.1.2_patched/build/std'
make: *** [makefile:6: std] Error 2
[root@localhost vasp.6.1.2_patched]# make all
if [ ! -d build/std ] ; then mkdir build/std  ; fi; \
cp src/makefile src/.objects makefile.include build/std ; \
make -C build/std VERSION=std all
make[1]: Entering directory '/opt/vasp.6.1.2_patched/build/std'
rsync -ru ../../src/lib .
cp makefile.include lib
make -C lib -j1
make[2]: Entering directory '/opt/vasp.6.1.2_patched/build/std/lib'
make libdmy.a
make[3]: Entering directory '/opt/vasp.6.1.2_patched/build/std/lib'
make[3]: 'libdmy.a' is up to date.
make[3]: Leaving directory '/opt/vasp.6.1.2_patched/build/std/lib'
make[2]: Leaving directory '/opt/vasp.6.1.2_patched/build/std/lib'
rsync -ru ../../src/parser .
cp makefile.include parser
make -C parser -j1
make[2]: Entering directory '/opt/vasp.6.1.2_patched/build/std/parser'
make libparser.a
make[3]: Entering directory '/opt/vasp.6.1.2_patched/build/std/parser'
icpc -D YY_parse_DEBUG=1 -c sites.cpp -o sites.o
In file included from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/move.h(55),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/stl_pair.h(59),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/stl_algobase.h(64),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/vector(60),
                 from sites.hpp(4),
                 from sites.cpp(1):
/opt/rh/devtoolset-9/root/usr/include/c++/9/type_traits(1018): error: type name is not allowed
        : public __bool_constant<__is_assignable(_Tp, _Up)>
                                                 ^

In file included from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/move.h(55),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/stl_pair.h(59),
                  from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/stl_algobase.h(64),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/vector(60),
                 from sites.hpp(4),
                 from sites.cpp(1):
/opt/rh/devtoolset-9/root/usr/include/c++/9/type_traits(1018): error: type name is not allowed
        : public __bool_constant<__is_assignable(_Tp, _Up)>
                                                      ^

In file included from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/move.h(55),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/stl_pair.h(59),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/stl_algobase.h(64),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/vector(60),
                 from sites.hpp(4),
                 from sites.cpp(1):
/opt/rh/devtoolset-9/root/usr/include/c++/9/type_traits(1018): error: identifier "__is_assignable" is undefined
        : public __bool_constant<__is_assignable(_Tp, _Up)>
                                 ^

In file included from /opt/rh/devtoolset-9/root/usr/include/c++/9/bits/ios_base.h(46),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/ios(42),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/ostream(38),
                 from /opt/rh/devtoolset-9/root/usr/include/c++/9/iostream(39),
                 from sites.cpp(2):
/opt/rh/devtoolset-9/root/usr/include/c++/9/bits/stl_function.h(437): error: identifier "__builtin_is_constant_evaluated" is undefined
        if (__builtin_is_constant_evaluated())
            ^

compilation aborted for sites.cpp (code 2)
make[3]: *** [makefile:31: sites.o] Error 2
make[3]: Leaving directory '/opt/vasp.6.1.2_patched/build/std/parser'
make[2]: *** [makefile:12: all] Error 2
make[2]: Leaving directory '/opt/vasp.6.1.2_patched/build/std/parser'
make[1]: *** [makefile:156: parser] Error 2
make[1]: Leaving directory '/opt/vasp.6.1.2_patched/build/std'
make: *** [makefile:6: std] Error 2

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