[gmx-users] grompp problems

[Taeho Kim]

Hi,
It's great to see your useful information. 
For Mac OS X, I am just wondering whether you have better performance - scaling - on multiple Mac machines. I have installed Gromacs3.1.5/LAM-MPI6.5.7/FFTW2.1.3 with the similar configurations to yours. However, I didn't get better performance on two dual CPU machines than one single dual machine. 

For your information,
--------- I have differences from your instructions. I didn't specifically define below ---- 
3C. Export the following environment variables:         ;;( since the lib is in my path, /sw/bin)
CPPFLAGS = -I/usr/local/lam_mpi/include 
LDFLAGS = -L/usr/local/lam_mpi/lib 
LIBS = -lmpi -llam
MPICC = cc                                                       
----
I'm wondering whether MPICC with cc is different from with "gcc" in performance?  I used "cc=gcc" for configuration.

How can I increase the computing performance on multiple machines of dual 1.0GHz Mac OS X.  I'm willing to try to reinstall software for better scaling.

And what if I add more single CPU Macs machines with lower CPU speeds?  I suspect the lower CPU speed can be the bottle-neck of heterogeneous CPU clusters, even with -shuffle.  Actually, I didn't try this because I didn't get better performance on two machines with the same CPU/OSX over fast Ethernet.

Thank you in advance, 
Taeho
-----원본 메시지-----
보낸 사람: Chng Choon Peng <cpchng at bii.a-star.edu.sg>
받는 사람: gmx-users at gromacs.org <gmx-users at gromacs.org>
날짜: 2003년 3월 11일 화요일 오전 12:48
제목: Re: [gmx-users] grompp problems


>Hi,
>
>  Btw, I still maintain a GROMACS how-to-install webpage for Mac OS X
>(PowerMac G4 and Xserves using LAM/MPI) and IA32/64 Linux using
>MPICH/MPICH-GM.
>
>Please refer to:
>http://www.bii.a-star.edu.sg/~cpchng/GROMACS_HowTo.html
>
>Also, some benchmarks on PIII/4/Athlon/UltraSPARC are also available.
>
>
>Regards,
>choon peng