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

[Pietro Davide Delugas]

Dear Paolo

:) many compliments to your system administrator ...

this is yet an other issue with a too compiler version. It is very 
likely the case that your mpif90 is still using fortran 4.4.6 just check 
with mpif90 --version  and see what it prints out.
If mpif90 is using 5.4 the simpler thing to do is to oblige the 
compiler, and change line 58 of PP/src/plotband.f90 from

CHARACTER(len=:), ALLOCATABLE :: line

to

CHARACTER(len=2048), ALLOCATABLE :: line

and anything should be working. You can meet other errors of this kind, 
read carefully the error messages and try to fix them.

In the case ( I am afraid it is actually the case) that mpif90 is using 
the old fortran version, you need to install an  mpi library that uses 
your desired gfortran version.

It is a little bit complicated but not very difficult, just takes a bit 
of time and patience,  you have just to download the source, better a 
not too old or not too new one , for example this one should work:

https://download.open-mpi.org/release/open-mpi/v2.0/openmpi-2.0.4.tar.gz

follow configure instructions taking care to enable f90 API and to   
point  to the right fortran compiler.
It's up to you to decide whether it takes less time doing this  by 
yourself,  or convince the system administrator to help you ...
best wishes
Pietro





On 04/08/2019 01:53 AM, Fabio Costa wrote:
> 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://imgur.com/DyYlO4R>
>     	
>     Imgur <https://imgur.com/DyYlO4R>
>     Compilation error
>     imgur.com <http://imgur.com>
>
>
>     <https://imgur.com/ZyyVGt3>
>     	
>     Imgur <https://imgur.com/ZyyVGt3>
>     configure output
>     imgur.com <http://imgur.com>
>
>
>     <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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