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Error Writing 32768 Words At Offset

[ subject ] [ author ] From your output file, it says that your scratch files are currently going to /tmp . Presumably this does not have enough disk space for your calculation. Try invoking molpro with: molpro -d /scratch_space input_file where /scratch_space is the location of your large disk space and of course input_file is the name of your input. -Kirk On May 31, 2011, at 7:39 PM, Ghazal Mashhadiagha wrote: > hi > I defined the scratch, but still I saw the error: > ERROR WRITING 32768 WORDS AT OFFSET 30900224. TO FILE21 IMPLEMENTATION=eaf FILE HANDLE= 1 IERR= -1999 > ? Error > ? I/O error > ? The problem occurs in writew > Can You help me? > _______________________________________________ > Molpro-user mailing list > Molpro-user at molpro.net > http://www.molpro.net/mailman/listinfo/molpro-user -------------- next part -------------- An HTML attachment was scrubbed... URL: Previous message: [molpro-user] large number of excited states Next message: [molpro-user] RASSCF question Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] More information about the Molpro-user mailing list

搜索 热搜: 量子化学 波函数分析 Multiwfn Gaussian 分子动力学 本版帖子用户 计算化学公社»首页 › 理论与计算化学 › 量子化学 › molpro的一个奇怪报错 返回列表 查看: 869|回复: 6 [Molpro/Molcas] molpro的一个奇怪报错 [复制链接] 诸葛壹次心 诸葛壹次心 当前离线 UID509 在线时间36 小时 注册时间2014-12-8 最后登录2016-4-17 好友0 http://bbs.keinsci.com/thread-750-1-1.html 55帖子1威望206eV Level 3 能力者, 积分 281, 距离下一级还需 219 积分 积分281 http://www.bleepingcomputer.com/forums/t/567838/windows-8-random-occurences-of-100disktask-manager-and-freezing/page-6 Level 3 能力者 发消息 电梯直达 楼主 发表于 2015-2-5 02:11:27 | 只看该作者 |倒序浏览 |阅读模式 大家好,我今天用molpro遇到了一个奇怪的报错,之前用vdz基组一直好好地,换成vtz就报了下面这个错误,不知道怎么解决,我看网上说可能是磁盘空间不够,但是我的硬盘肯定够,内存是大于60G的,我同时也将计算的分子从4个C换成了CH4,仍出现同样的错误,各位大侠能帮忙提供一些线索么?谢谢!输入文件在错误信息的下方。 Eigenvalues of metric 1 0.127E-02 0.195E-02 0.195E-02 0.202E-02 0.393E-02 0.107E-01 0.107E-01 0.110E-01 Contracted 2-electron integrals neglected if value below error writing 1.0D-11 AO integral compression algorithm1 Integral accuracy 1.0D-11 ERROR WRITING 32768 WORDS AT OFFSET 4014276. TO FILE 1IMPLEMENTATION=df FILE HANDLE=1013IERR=-22048 ? Error ? I/O error ? The problem occurs in writew -->