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标题: GIMIC2.0安装问题 [打印本页]

作者
Author: Jasmine123 时间: 前天 20:38
标题: GIMIC2.0安装问题
求助各位老师，我在按照sob老师发布的考察分子磁感生电流的程序GIMIC 2.0的使用（含24分钟演示视频） - 思想家公社的门口：量子化学·分子模拟·二次元 (sobereva.com)这一文章安装软件，第二节全部顺利进行，但是进行第三部显示gimic：command not found，后续进行make test，显示以下错误，请问该怎么解决呢
(myconda) [root@localhost gimic-master]# cd build
(myconda) [root@localhost build]# make test
Running tests...
Test project /root/Downloads/gimic-master/build
   Start  1: benzene/integration-gauss
1/22 Test  #1: benzene/integration-gauss .........***Failed 0.04 sec
   Start  2: benzene/integration-lobatto
2/22 Test  #2: benzene/integration-lobatto .......***Failed 0.01 sec
   Start  3: benzene/vectors
3/22 Test  #3: benzene/vectors ...................***Failed 0.02 sec
   Start  4: benzene/2d
4/22 Test  #4: benzene/2d ........................***Failed 0.01 sec
   Start  5: benzene/3d
5/22 Test  #5: benzene/3d ........................***Failed 0.01 sec
   Start  6: benzene/keyword-magnet
6/22 Test  #6: benzene/keyword-magnet ............***Failed 0.02 sec
   Start  7: benzene/3d-keyword-magnet
7/22 Test  #7: benzene/3d-keyword-magnet .........***Failed 0.01 sec
   Start  8: benzene/2d-keyword-magnet
8/22 Test  #8: benzene/2d-keyword-magnet .........***Failed 0.01 sec
   Start  9: benzene/keyword-spacing
9/22 Test  #9: benzene/keyword-spacing ...........***Failed 0.02 sec
   Start 10: benzene/keyword-rotation
10/22 Test #10: benzene/keyword-rotation ..........***Failed 0.01 sec
   Start 11: benzene/keyword-rotation_origin
11/22 Test #11: benzene/keyword-rotation_origin ...***Failed 0.01 sec
   Start 12: benzene/keyword-radius
12/22 Test #12: benzene/keyword-radius ............***Failed 0.02 sec
   Start 13: benzene/int-grid-bond-even
13/22 Test #13: benzene/int-grid-bond-even ........***Failed 0.01 sec
   Start 14: benzene/int-cdens
14/22 Test #14: benzene/int-cdens .................***Failed 0.01 sec
   Start 15: benzene/diamag-off
15/22 Test #15: benzene/diamag-off ................***Failed 0.02 sec
   Start 16: benzene/paramag-off
16/22 Test #16: benzene/paramag-off ...............***Failed 0.01 sec
   Start 17: benzene/giao-test
17/22 Test #17: benzene/giao-test .................***Failed 0.01 sec
   Start 18: c4h4/integration
18/22 Test #18: c4h4/integration ..................***Failed 0.02 sec
   Start 19: c4h4/read-grid
19/22 Test #19: c4h4/read-grid ....................***Failed 0.01 sec
   Start 20: open-shell/3d
20/22 Test #20: open-shell/3d .....................***Failed 0.01 sec
   Start 21: open-shell/integration
21/22 Test #21: open-shell/integration ............***Failed 0.02 sec
   Start 22: benzene/skip-jmod-integration
22/22 Test #22: benzene/skip-jmod-integration .....***Failed 0.01 sec

0% tests passed, 22 tests failed out of 22

Total Test time (real) = 0.32 sec

The following tests FAILED:
   1 - benzene/integration-gauss (Failed)
   2 - benzene/integration-lobatto (Failed)
   3 - benzene/vectors (Failed)
   4 - benzene/2d (Failed)
   5 - benzene/3d (Failed)
   6 - benzene/keyword-magnet (Failed)
   7 - benzene/3d-keyword-magnet (Failed)
   8 - benzene/2d-keyword-magnet (Failed)
   9 - benzene/keyword-spacing (Failed)
   10 - benzene/keyword-rotation (Failed)
   11 - benzene/keyword-rotation_origin (Failed)
   12 - benzene/keyword-radius (Failed)
   13 - benzene/int-grid-bond-even (Failed)
   14 - benzene/int-cdens (Failed)
   15 - benzene/diamag-off (Failed)
   16 - benzene/paramag-off (Failed)
   17 - benzene/giao-test (Failed)
   18 - c4h4/integration (Failed)
   19 - c4h4/read-grid (Failed)
   20 - open-shell/3d (Failed)
   21 - open-shell/integration (Failed)
   22 - benzene/skip-jmod-integration (Failed)
Errors while running CTest
Output from these tests are in: /root/Downloads/gimic-master/build/Testing/Temporary/LastTest.log
Use "--rerun-failed --output-on-failure" to re-run the failed cases verbosely.
make: *** [test] Error 8

作者
Author: yao603680 时间: 前天 20:42
同求加一

作者
Author: sobereva 时间: 前天 21:34
说清楚所谓的“第三部”指什么
搞清楚PATH环境变量是干什么的、编译成功没有、可执行文件出现了没有

作者
Author: Jasmine123 时间: yesterday 10:48

yao603680 发表于 2024-11-25 20:42
同求加一

朋友我解决了，我是path环境变量写错了，你看你有没有问题

作者
Author: Jasmine123 时间: yesterday 10:49

sobereva 发表于 2024-11-25 21:34
说清楚所谓的“第三部”指什么
搞清楚PATH环境变量是干什么的、编译成功没有、可执行文件出现了没有

嗯嗯谢谢老师已经解决了

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