<span>On 31/03/11, <b class="name">Elena Formoso </b> <elena.formoso@phys.chem.ethz.ch> wrote:</span><blockquote cite="mid:AANLkTim80V5_gqGb-K9pGCv2vi_UwXoin+MS=LdVB0v0@mail.gmail.com" class="iwcQuote" style="border-left: 1px solid rgb(0, 0, 255); padding-left: 13px; margin-left: 0pt;" type="cite"><div class="mimepart text html">Dear all,<br />I am trying to do a QM/MM calculation with gromacs/CPMD. When I
try to use a parallel version of mdrun and CPMD I get a segmentation fault. <br />I have seen in the examples that LAM is used in runcpmd. It is mandatory for parallel runs?</div></blockquote><br />LAM is a deprecated library implementing the MPI standard. Whether it is necessary, or another MPI implementation is possible (or even preferable) is a question that should be answered in the documentation of the GROMACS-CPMD port. Is it?<br /><br />Mark