[QE-users] Compilation on a server ends with error 1

[Fabio Costa]

Dear Paolo and Pietro

Thanks for the assistance, and sorry for the late reply on your advice.

I contacted the system administrator, and he explained to me that as there are several other applications running under this old gfortran version, and because of that he could not just issue "sudo apt update gfortran", on the risk of messing up with all the other stuff currently running on the system. His advice to me was to manually install a newer version inside my workspace.

I did that, and now I have both the native 4.4.6 and the 5.4.0 gfortran compilers. I also added to my bashrc the line "export F90=/path/to/gfortran5.4.0/". When i run configure, it detects the gfortran v5.4.0, so I think that I did this right. At first, make all still crashes at phcg.x. I proceeded changing the lines in Makefile as Pietro sugested, and when compiling again it goes a bit further, but still crashes. To avoid these crashes, I tryed to compile just the packages I'm intending to use (pw, ph, w90 and epw). By issuing make pw, followed by make ph, make w90, the task is succesful, but It craches again when I issue make epw. The print screen of the error message is in the link: https://imgur.com/CerJStE .

Also, I'm still getting the same errors with the compiled executables. About Paolo's advice, in my current situation, where I cant just update the whole thing, and kinda have two version of gfortran. I'm not sure if the crashes are because when  the executables run, they are still linking to the gfortran 4.4.6. What course of action would you sugest?

Thank you for the assistance

Fábio Costa
MSc student in physics
Federal University of Bahia, Brazil

________________________________
De: users <users-bounces at lists.quantum-espresso.org> em nome de Paolo Giannozzi <p.giannozzi at gmail.com>
Enviado: quinta-feira, 28 de março de 2019 11:40
Para: Quantum Espresso users Forum
Assunto: Re: [QE-users] Compilation on a server ends with error 1

There are two unrelated problems:
- the linker is unable to find the main program in PHonon/Gamma. I have never seen this happen before, but the link is done in a slightly different way from all other cases and this will be fixed
- the executable doesn't work likely due to a known problem of many old compilers with unallocated optional variables

Paolo


On Thu, Mar 28, 2019 at 3:47 AM Fabio Costa <fabiocosta4 at hotmail.com<mailto:fabiocosta4 at hotmail.com>> wrote:
Dear all

I'm trying to install QE-6.4 on a server, by doing the usual procedure, ./configure and make all commands.

The configure step seems to be successful, but the compilation fails after a couple minutes, with a message "make: *** [ph] Error 1". Even with this interruption, a few .x files are compiled, such as pw.x, ph.x, etc., but when I try to run a calculation, It also results in an error message.

Appologies for my not-so-much enlightening description, as I myself could not extract many info from the error messages, so I hope the print screens will be more helpfull than I could.

https://imgur.com/HeT8JMM
https://imgur.com/ZyyVGt3
https://imgur.com/DyYlO4R

Thanks in advance for any assistance

Fábio Costa
MSc student in physics
Federal University of Bahia, Brazil
[https://i.imgur.com/DyYlO4R.png?fb]<https://imgur.com/DyYlO4R>

Imgur<https://imgur.com/DyYlO4R>
Compilation error
imgur.com<http://imgur.com>


[https://i.imgur.com/ZyyVGt3.png?fb]<https://imgur.com/ZyyVGt3>

Imgur<https://imgur.com/ZyyVGt3>
configure output
imgur.com<http://imgur.com>


[https://i.imgur.com/HeT8JMM.png?fb]<https://imgur.com/HeT8JMM>

Imgur<https://imgur.com/HeT8JMM>
pw.x error
imgur.com<http://imgur.com>




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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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