[QE-users] running error with ubuntu-20.04

[Haider Abbas]

Dear all,

I was fairly running quantum espresso on the ubuntu 18.04 with the command

mpiexec -n 4 ./pw.x < scf.in > out.out

on my 4 core pc.

Now when I have upgrade my pc to ubuntu 20.04, and when I run the quantum
espresso with the same command, it gives me error.

haider at HAIDER:~/qe-6.5/bin$ mpiexec -n 4 ./pw.x <scf.in> out.out &

[1] 32761

haider at HAIDER:~/qe-6.5/bin$
--------------------------------------------------------------------------


There are not enough slots available in the system to satisfy the 4

slots that were requested by the application:


./pw.x


Either request fewer slots for your application, or make more slots

available for use.


A "slot" is the Open MPI term for an allocatable unit where we can

launch a process. The number of slots available are defined by the

environment in which Open MPI processes are run:


1. Hostfile, via "slots=N" clauses (N defaults to number of

processor cores if not provided)

2. The --host command line parameter, via a ":N" suffix on the

hostname (N defaults to 1 if not provided)

3. Resource manager (e.g., SLURM, PBS/Torque, LSF, etc.)

4. If none of a hostfile, the --host command line parameter, or an

RM is present, Open MPI defaults to the number of processor cores


In all the above cases, if you want Open MPI to default to the number

of hardware threads instead of the number of processor cores, use the

--use-hwthread-cpus option.


Alternatively, you can use the --oversubscribe option to ignore the

number of available slots when deciding the number of processes to

launch.

--------------------------------------------------------------------------


[1]+ Exit 1 mpiexec -n 4 ./pw.x < scf.in > out.out



I have reinstall quantum espresso, but received the same error.

I sought your help.


with regards


Haider Abbas
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