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 ...
对一个字符都没有了），错误提示：forrtl: severe (174): SIGSEGV, segmentation fault occurred 不懂...
is that the vasp_std can run the first Ionic step, and then stop with the Segmentation fault....
forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source...
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 exe...
forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 000000000053CCB6 Unknown Unknown Unknown vasp 0000000000440C6C Unknown Unknown Unknown vasp 000000000043A9AC Unknown Unknown Unknown libc.so.6 0000003ECCC1ECDD Unknown Unknown Unknown vasp 000000000043A8A9 Unknown...
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...
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...