[Pw_forum] question on installing quantum espresso

2016-08-15 Thread Yu, Tao
Hi, I would like to install the qe package in our cluster belong to university. The University requires a copy of the actual open source license? Please let me know where I can find such type of document. Many thanks, Tao ___ Pw_forum mailing list

[Pw_forum] Installation of QE

2016-08-30 Thread Yu, Tao
Hi, I have a question about compile QE-5.4.0 in our computer. First of all, do you have an instruction for guiding the compiling process? I saw many package there. Do we just install espresso-5.4.0, or we need to install others, like pwgui, tddftpt, ect, all together? Many thanks, Tao __

[Pw_forum] ask for test runs for installation

2016-09-07 Thread Yu, Tao
Hi, We installed QE in our computer, and would like to do some test runs. Is there any test run file we can use to validate our installation? Thanks, Tao ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

[Pw_forum] can not install parallel run of QE

2016-09-12 Thread Yu, Tao
Hi, During the installation process, after running ./configure, it returned a piece of information, Parallel environment not detected \(is this a parallel machine?\).\ Configured for compilation of serial executables. What happened there? Does this mean I can only run with 1CPU? How to fix t

Re: [Pw_forum] can not install parallel run of QE

2016-09-12 Thread Yu, Tao
version? On Sep 12, 2016, at 8:49 PM, Yu, Tao wrote: > Hi, > > During the installation process, after running ./configure, it returned a > piece of information, > > Parallel environment not detected \(is this a parallel machine?\).\ > Configured for compilation of serial executabl

Re: [Pw_forum] can not install parallel run of QE

2016-09-12 Thread Yu, Tao
le reasons Paolo On Mon, Sep 12, 2016 at 9:49 PM, Yu, Tao mailto:t...@tntech.edu>> wrote: Hi, During the installation process, after running ./configure, it returned a piece of information, Parallel environment not detected \(is this a parallel machine?\).\ Configured for compi