标题: 求助，zen4cpu编译、make test均通过但运行时报错Warning: ieee_invalid is signal... [打印本页] 作者Author: hydrogen2333 时间: 2025-2-5 14:21 标题: 求助，zen4cpu编译、make test均通过但运行时报错Warning: ieee_invalid is signal... 小白在自己笔记本上安装vasp供自己学习使用
cpu是AMD 7840HS，参考http://bbs.keinsci.com/thread-40792-1-1.html这个帖子成功编译且make test全部通过，选择makefile.include.aocc_ompi_aocl_omp模板
但是后面测试sob老师的任务包（http://sobereva.com/455文末）时突然中止了，如下
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| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| The electronic self-consistency was not achieved in the given |
| number of steps (NELM). The forces and other quantities evaluated |
| might not be reliable so examine the results carefully. If you find |
| spurious results, we suggest increasing NELM, if you were close to |
| convergence or switching to a different ALGO or adjusting the |
| density mixing parameters otherwise. |
| |
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1 F= -.53232743E+05 E0= -.53232709E+05 d E =-.683632E-01
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
Warning: ieee_invalid is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
FORTRAN STOP
在http://bbs.keinsci.com/thread-42168-1-1.html帖子中有类似的问题，按照其中的方法我尝试把OFLAG = -O2改成OFLAG = -O3,也是成功make all和make test但是在测试http://sobereva.com/455中的任务时也报了相同的错误，自己的模板已上传到附件中，恳请大佬们帮助 作者Author: hydrogen2333 时间: 2025-7-26 22:56
同样的设备同样的问题，换成Rocky之后就没这个问题了