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-boun...@lists.quantum-espresso.org> em nome de
Paolo Giannozzi <p.gianno...@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 <fabiocos...@hotmail.com
<mailto:fabiocos...@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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