The messages do indicate the REPDSTR code was not compiled correctly. From the c38b1
version of repdstr.doc (available here
): Parallel ditributed replica allows independent replicated systems
over specified number of processors. It mainly works with CMPI
pref.dat keyword (YMMV). REPDSTR is still not the default pref.dat
keyword so the recommended way to compile CHARMM is the following:
install.com gnu xxlarge M mpif90 +REPDSTR +ASYNC_PME +GENCOMM [+MSCALE]
for install.com em64t add +CMPI to the above list.
Also MSCALE is not really needed for pure REPDSTR runs, but it is
needed for triple parallel CHARMM.
The options to install.com are significantly different from what you've posted, which may be from an older version of the documentation.