[QE-users] qe7.5 installation error

arupgh1258 at iasst.res.in arupgh1258 at iasst.res.in
Mon Apr 27 12:07:15 CEST 2026


Recently i have install qe7.5 in the cpu & gpu Operating System: Ubuntu 
22.04.5 LTS,  Kernel: Linux 6.8.0-106-generic, Architecture: x86-64 and 
gpu NVIDIA RTX A6000. In both gpu and cpu it was installed successfully 
but when i tried to run the calculation it always comes mpi abort and 
inside the .out file it is written as
  Estimated static dynamical RAM per process >      85.32 MB

      Estimated max dynamical RAM per process >      93.05 MB

      Estimated total dynamical RAM >     744.38 MB

  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine aainit (18):
      mx dimension too small
  
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

      stopping ...
i changed the input remove u parameter, soc and even change the 
pseudopotential but every time it comes the same error whether it is 
installation problem or it is bug of qe 7.5 because with same parameter 
i had done the calculation with qe7.2 version and in qe7.3 but their the 
job done perfectly.
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: scf.out
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20260427/af47c178/attachment.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: scf.in
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20260427/af47c178/attachment-0001.ksh>


More information about the users mailing list