users forum

The QE Users Forum is the main place where to discussQuantum ESPRESSOrelated issues.
Only subscribed users can participate. Followingthis linkyou will be re-directed to the external page of the Forum. You will find the subscription form and thearchivesof the lists.

  • Quantum ESPRESSOis onFacebook, onTwitter, onLinkedIn,在Youtube
  • 讨论的主要地方Quantum ESPRESSO用户之间的相关问题是users@lists.quantum-espresso.orgmailing list (note the change). Only subscribed users can post: you can subscribe and browse the archiveshere。可搜索的基于“增大化现实”技术chives are available onmail-archive.com。Please see the posting guidelines and how to report problems before posting!
  • Questions about the GPU version ofQuantum ESPRESSOshould also be addressed to the users’ mailing list. In this case please tag your message subject with[QE-GPU]更好地识别您的电子邮件。
  • 如果您需要与开发人员联系,请发送电子邮件至开发人员的邮件列表:developers@lists.quantum-espresso.org。Please use it only for bug reports, for specific technical subjects or for topics that are not appropriate for the users’ mailing list. Generic or inappropriate questions will be ignored. You can register or browse the archiveshere

Posting guidelines

Life for mailing list subscribers will be easier if everybody complies with the following guidelines:

  • Before posting,please: browse or search the archives – links are available above. Most questions are asked over and over again. Also: make an attempt to search the available documentation, notably the常问问题, the General documentation, and theInput Data Description。The answer to most questions is already there.
  • Reply to both the mailing list and the author or the post, using “Reply to all”.
  • Sign your post with your name and affiliation.
  • Choose a meaningful subject. Do not use “Reply” to start a new thread: it will confuse the ordering of messages into threads that most mailers can do. In particular, do not use “Reply” to a Digest!!!
  • 简而言之:不需要发送128份相同错误消息的副本,仅仅是因为这是您的128加工程序运行中出现的内容。无需发送整个汇编日志以出现在末尾出现的单个错误。
  • Do not post large attachments: post a link to a place where the attachment(s) can be downloaded from, such as e.g. DropBox, Google Docs, or one of the various web temporary storage spaces (e.g.:Uguu.se,WeTransfer,ExpireBox)
  • Avoid excessive or irrelevant quoting of previous messages. Your message must be immediately visible and easily readable, not hidden into a sea of quoted text.
  • Remember that even experts cannot guess where a problem lies in the absence of sufficient information. One piece of information that mustalwaysbe provided is the version number you are using.
  • Remember that the mailing list is a voluntary endeavour: nobody is entitled to an answer, even less to an immediate answer. Please check in the archive if your e-mails have gone through before thinking or even worse complaining that没有人回答我的问题。Also please remember that “smart ” mailers may recognize that a message from a mailing list was sent by you and may not show it as a new message.
  • Finally, please note that the mailing list is not a replacement for your own work, nor is it a replacement for your thesis director’s work.

Reporting bugs or bug fixies

  • Problems should be preferably reported asGitLab issues, or to thedevelopersmailing list. Bug fixes should be preferably submitted asGitLab merge requests或到developersmailing list. Pleasedo not write to a single developer
  • Before reporting an unexpected behavior as a problem,
    • check your input data: most problems originate from there
    • if you have a problem with examples, look for the error message printed by the code in the output file: few things irritate developers like messages sayingI got error 137 in example 24
    • carefully read the error message issued by the code, if present: sometimes it explains everything. For the provided examples, you must look inside the output files.
    • 如果它说信任的代码this doesn’t exist或者this is wrong!
    • check if a similar or same problem hasn’t already been reported
  • Before deciding that a problem is due to a bug in the codes, verify if it is reproducible on different machines/architectures/phases of the moon: erratic or irreproducible problems, especially in parallel execution, are often an indication of buggy compilers or libraries
  • 错误报告应包含足够的信息以进行复制,例如版本号(强制性!),问题出现的硬件/软件组合,无论是在串行还是并行执行中或两者兼而有之,最重要的是,输入和输出表现出这种行为(如果可能的话,请快速执行)。仅此错误消息很少是足够的信息。Segmentation violation或者obscure MPI error messages arenevera sufficient piece of information.

(Last updated 10 January 2020)