i tried to follow this tutorial link
to get the Replica exchange statistics exactly like that
by this command for three temperature
gmx mdrun -ntmpi 2 -ntomp 1 -s remd_$i.tpr -multidir 3 -replex 50
mdrun -multidir is only supported when GROMACS has been configured with a
proper external MPI library.
As stated in the Note section of your linked tutorial, and the fatal error message, you need to compile an mpi version of gromacs for REMD simulations.
thanks for replying … but excuse what did you mean by compile an mpi version ?
i followed the link but got this error when i make check after enabled -DGMX_MPI=on
Test project /Dekstop/gromacs-2020.4/build
Start 1: TestUtilsUnitTests
1/59 Test #1: TestUtilsUnitTests …***Exception: SegFault 0.33 sec
[user:18460] *** Process received signal ***
[user:18460] Signal: Segmentation fault (11)
[user:18460] Signal code: Address not mapped (1)
[user:18460] Failing at address: 0x44000098
[user:18460] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x12980)[0x7fbbde289980]