24小时热门版块排行榜    

查看: 1766  |  回复: 5
当前只显示满足指定条件的回帖,点击这里查看本话题的所有回帖

chiqiong

禁虫 (初入文坛)

本帖内容被屏蔽

已阅   关注TA 给TA发消息 送TA红花 TA的回帖

chimegreen

木虫 (正式写手)

Dr.


zzy870720z(金币+1):继续奖励,谢谢 2010-09-13 08:21:07
usually a calculation segfaults if the memory requirements get too large or if there are some allocation errors (eg due to improper compilation)
both should not be the case with your calculation and memory limits.
please send a more detailled error report to find out at which point the calculation actually
crashes (mixing, diagonalisation,???): this report should include
OUTCAR,OSZICAR and the job.stdout file
please let me make 2 short remarks
--) for 240 Fe atoms/cell,
MAGMOM = 240*4
is sufficient
--) if you want to obtain reliable results from quantities derived from the stress tensor (ISIF = 2) , you should take the highest precision
PREC= High
in INCAR
快乐科研,快乐生活。
3楼2010-09-12 22:23:14
已阅   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 6 个回答

chimegreen

木虫 (正式写手)

Dr.

★ ★
小木虫(金币+0.5):给个红包,谢谢回帖交流
zzy870720z(金币+1):谢谢提示 2010-09-13 08:20:20
内存不足?
或编译器有问题
快乐科研,快乐生活。
2楼2010-09-12 22:21:58
已阅   关注TA 给TA发消息 送TA红花 TA的回帖

chimegreen

木虫 (正式写手)

Dr.


zzy870720z(金币+1):如果可能,尽量在一个帖子中回复,谢谢合作,再次感谢回帖指点 2010-09-13 08:22:02
there is one thing I completely overlooked (sorry): please choose either -DwNGXhalf or -DwNGZhalf (not both of them at once) as precompiler flags
快乐科研,快乐生活。
4楼2010-09-12 22:23:35
已阅   关注TA 给TA发消息 送TA红花 TA的回帖

chiqiong

禁虫 (初入文坛)

本帖内容被屏蔽

5楼2010-09-13 10:18:27
已阅   关注TA 给TA发消息 送TA红花 TA的回帖
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[考研] 材料专硕274一志愿陕西师范大学求调剂 +5 薛云鹏 2026-03-13 5/250 2026-03-17 10:15 by Sammy2
[考研] 268求调剂 +6 一定有学上- 2026-03-14 7/350 2026-03-17 10:14 by Sammy2
[考研] 268求调剂 +5 好运连绵不绝 2026-03-12 5/250 2026-03-17 10:12 by Sammy2
[考研] 278求调剂 +3 Yy7400 2026-03-13 3/150 2026-03-17 08:24 by laoshidan
[考研] 274求调剂 +5 时间点 2026-03-13 5/250 2026-03-17 07:34 by 热情沙漠
[考研] 326求调剂 +4 上岸的小葡 2026-03-15 5/250 2026-03-16 08:39 by Linda Hu
[考研] 0856专硕279求调剂 +5 加油加油!? 2026-03-15 5/250 2026-03-15 11:58 by 2020015
[基金申请] 现在如何回避去年的某一个专家,不知道名字 +3 zk200107 2026-03-12 6/300 2026-03-14 17:13 by zk200107
[考研] 311求调剂 +5 牛乳糖的卡卡 2026-03-10 5/250 2026-03-14 00:05 by JourneyLucky
[考研] 材料工程,326分,求调剂 +6 KRSLSR 2026-03-10 6/300 2026-03-13 23:47 by JourneyLucky
[考研] 材料371求调剂 +9 鳄鱼? 2026-03-11 11/550 2026-03-13 22:53 by JourneyLucky
[考研] 304求调剂 +6 Mochaaaa 2026-03-12 7/350 2026-03-13 22:18 by 星空星月
[考研] 333求调剂 +3 球球古力 2026-03-11 3/150 2026-03-13 21:27 by JourneyLucky
[硕博家园] 085600 260分求调剂 +3 天空还下雨么 2026-03-13 5/250 2026-03-13 18:46 by 天空还下雨么
[考研] 【0856】化学工程(085602)313 分,本科学科评估A类院校化学工程与工艺,诚求调剂 +7 小刘快快上岸 2026-03-11 7/350 2026-03-13 16:06 by ruiyingmiao
[考研] 工科278分求调剂 +5 周慢热啊 2026-03-12 7/350 2026-03-13 15:49 by JourneyLucky
[考研] 工科调剂 +4 Jiang191123! 2026-03-11 4/200 2026-03-13 15:15 by Miko19
[考研] 328化工专硕求调剂 +4 。,。,。,。i 2026-03-12 4/200 2026-03-13 14:44 by JourneyLucky
[考博] 福州大学杨黄浩课题组招收2026年专业学位博士研究生,2026.03.20截止 +3 Xiangyu_ou 2026-03-12 3/150 2026-03-13 09:36 by duanwu655
[考研] 321求调剂(食品/专硕) +3 xc321 2026-03-12 6/300 2026-03-13 08:45 by xc321
信息提示
请填处理意见