CASINO manual - Theory of Condensed Matter

Set the verbosity level of the machine set-up process to . By
default is 0. ’-v’ increases the verbosity level by 1, and
’-q’ decreases it by 1.
--info | -i
Report back various machine-dependent parameters whose value one might like
to know when deciding how to run a job, then stop. This is useful
for inquiring what runqmc believes to be, e.g., the number of cores per node,
according to the currently activated arch file.
Options available on workstations
--background | -B
Run CASINO in the background, returning control to the shell after starting
the run. This has the same effect as ’${0##*/} & disown’, whereby the
CASINO process is detached from the shell, so if one wants to stop the run
’kill’ or ’killall’ must be used. It is safe to log out after running with
this option, the calculation will continue---no need for nohup/disown.
Running multiple jobs causes them to run in the background whether this
option is specified or not.
--print-out | -P
Print out the output of CASINO as it is being run. Implies --background.
[CTRL]-[C] will stop the print-out, and the CASINO job will remain in the
background. This option is ignored when running multiple jobs.
--debugger= | --gdb|-g | --valgrind
Run the code through the a debugger. This automatically sets to
’debug’ if no version had been selected. --gdb and -g are equivalent to
--debugger="gdb -q". --valgrind is equivalent to --debugger="valgrind"
Note that specific debuggers tend to work better with specific compilers,
for example the gdb debugger tends works better with GCC’s gfortran than
with Intel’s ifort.
Options available on parallel workstations and clusters
--no-mpi | -1
Run the binary directly without invoking mpirun etc. This option is applied
before any others, and makes this script behave as if the machine was a
single-core machine.
--nproc= | -p
Set the number of MPI processes to . This will have to be consistent
with , , and the machine information in the relevant
.arch file.
--ppn=
Set the number of MPI processes per physical, multi-core node to .
This will have to be consistent with , , , and the
machine information in the relevant .arch file.
--shm[=] | --shmem[=] | -s
Enable shared memory (which affects, e.g., storage of orbital
coefficients in blip or Gaussian mode and some other large arrays).
If is provided, set the
number of processes among which to share memory to , otherwise
shared memory is used across all cores on the same node by default. This
option requires having compiled the code with shared memory support, e.g.,
with ’make shm’ or ’make openmpshm.
--diagram | -D
Draw a diagram of the processes and threads on each node to the terminal
during set-up.
Options available on clusters
27