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<DIV>Hi, Dear All. </DIV>
<DIV> </DIV>
<DIV>I am new to pwscf, and would greatly appreciate your help.</DIV>
<DIV> </DIV>
<DIV>I installed pwscf on my Linux/alpha cluster (10 dual processors), which
employs LAM/MPI. I am trying to run molecular dynamics simulations as shown in
example4. I found that the speedup is only a factor of 2, which is
basically unacceptable. So, I want to know: </DIV>
<DIV>(1) does this occur to you as well?</DIV>
<DIV>(2) is this due to the fact that the code is not optimally parallelized or
that the LAM/MPI is not well configured? How can I get a workaround?</DIV>
<DIV> </DIV>
<DIV>Thank you in advance.</DIV>
<DIV> </DIV>
<DIV>Howard</DIV>
<DIV> </DIV>
<DIV>PS: When I do k-point scf calculation, the speedup is acceptable, around a
factor of 5 or so. </DIV></BODY></HTML>