问题1:VASP运行时,出现【forrtl : severe (174) : SIGSEGV, segmentation fault occurred】(译:分段故障发生) 问题1 答:出现上述报错,是由于VASP运行程序较大,所需的存储空间也较大,而Linux系统初始的堆栈大小又太小。故只需将堆栈大小(stack size)调大,一般设置成256M或者没有限制,此错误就会得到解决! 解决方...
经常在MS建模然后用vesta导出成POSCAR 这样确实会损失原子坐标的精度，那么vasp在定义空间群的时候就会出现问题，一般还没有什么，不过我发现在 selective dynamic 下特别容易出问题。提供一种解决方式是 ISYM =0 来--不利用对称性，虽然计算变慢一点但是一般可以很方便的解决。
I have been trying to run VASP in parallel. But I am having running it in parallel on more than one computing nodes. It runs perfectly fine on one node but when I increase the number of nodes, the simulation crashes. I have gathered all the possible information from the execution and ...
is that the vasp_std can run the first Ionic step, and then stop with the Segmentation fault....
| This setting can greatly improve the performance of VASP for DFT. | | The default,...
老师给了一个vasp.5.3，结果始终弄不好，虽然说编译于vasp.5.2几乎没有区别，也能编译出来vasp，...
I have been trying to run VASP in parallel. But I am having running it in parallel on more than one computing nodes. It runs perfectly fine on one node but when I increase the number of nodes, the simulation crashes. I have gathered all the possible information from the execu...
用VASP做结构优化，体系30个原子，运行到第二个Iteration的DAV1时计算中止，查看集群.e文件，里面说...
利用vasp2boltz脚本转换生成相关结构文件后, 利用~/boltztrap-1.2.5/src/x_trans BoltzTraP 执行,结果出现如图所示的提示,说: forrtl: severe (174): SIGSEGV, segmentation fault occurred。 在网上找了一些解决办法,说用ulimit -s unlimited 这种指令,但是我输入ulimit -s 时显示已经是unlimited的状态; 还有说在...
I have been trying to run VASP in parallel. But I am having running it in parallel on more than one computing nodes. It runs perfectly fine on one node but when I increase the number of nodes, the simulation crashes. I have gathered all the possibl...