-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hello Everyone,
I've compiled a parallel version of QE-5.0.2 on a quad-core workstation along with other dependencies such as openmpi-1.8.1 and fft-3.3.4 but when i run my calculations with it, I seem not to get the optimized computing power and efficiency as I expect. The time line and factor for the same jobs is no different from when I run them with a serial version. Could it be that I didn't compile it well or some dependencies are missing? Can anyone please help me out. Below is how I compiled the packages. - --------------------------------------------------------- #openmpi - --------------------------------- ./configure --prefix=3D/usr make all make install - --------------------------------- #Configuring fftw - --------------------------------- ./configure CC=3Dmpicc FC=3Dmpif90 make make install - --------------------------------- #Quantum espresso 5.0.2 - --------------------------------- ./configure --with-internal-blas --with-internal-lapack --enable-openmp --enable-parallel FFT_LIBS=3D/usr/lib/libfftw3.a --with-scalapack 2>&1| tee make_out3 =20 make all 2>&1 | tee make_out4 - -------------------------------- Thank you, Kind Regards Elliot - -- Elliot S. Menkah Research Student - Computational Chemistry/ Computational Material Science Theoretical and Computational Chemistry Dept. of Chemistry Kwame Nkrumah UNiversity of Sci. and Tech. Kumasi Ghana Tel: +233 243-055-717 Alt Email: [email protected] [email protected] -----BEGIN PGP SIGNATURE----- Version: GnuPG v1 iQIcBAEBAgAGBQJUdHJOAAoJEDhDF+z6Bg0CXv8P/i+I7iLDlfd+B0uxKkycyqh+ zatuQ4okvfvF69zVtxhwFl1GLRuTvuJnhbwM8jrEHQvk1aHwbBgFgIKWTnM5ox02 0NOBitqZ61DMO+G8d+lszyuUgqOPLdR6gNqgyCJvMndIOuTHEpRlWjILBLNu4+qE INwaXhXVFMrEfIgXYCNmtgyX+SKcrJAWjnv1pQZXeMWLEaU3RARxAsssCEGFflaj 5cagrJD6VHmdzliuvy4ecZVpyfM36caioVSQuquFiQ0T2cNsrLEKvY7w2NnhWXj0 lOx/0oJvWV4utjbsnz20abN27ceOTgFSgM9Gq/ZBadTXaU7bFIV21iG35b5orrvj lmXQEQmp3zT0A5RR0xkDWeBJxvGe+2rvNzB7KO6VHLtd4OT6nNUa5aolOTIesG3W kaW531oggkNcE52PQOuRsOmNnM+F1J55NkhK9WuYVB8RpAyufPO7x2Lt4lbcirGu kUBMcex76MPuYEZmZfZBnlrYH2w4WKwGM0/ShdEklzUQfdAO1XkIr2BoidJl6eZv KGCUaDu54eU/5ybVD/HNt3Hkn2dWxgpy4KMmGtgXaJMDc71sZ53h4vz7h9+ioa39 FGSDfKFYRMNeDe8iG6Mq1aeN2Drc69xtJCYEMS9qYRkVnb+YV1RY7+jdUTMHaPBU DLNb5jABp4IR/5koziAL =aE0r -----END PGP SIGNATURE----- _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
