Hi all: Is there any experience with Fortran compiling CPMD code for parallelized plane wave/pseudopotential implementation of DFT
for debian amd64 etch running on multiple dual-opteron machines? It is said that neither Fortran 77, nor 95 suffice, while great warns are raised on extreme difficulty of getting CPMD to run in parallel. In fact, as far as dual-opteron is concerned, extra confiduration files are offered at the web site http://www.cpmd.org/ for only serial runs. What is emphasized is that CPMD makes heavy use of 'Cray Pointer' extension to Fortran 77 for dynamical memory management. I.e. it has no internal engine for parallelization, which may make headhaches. What about the gfortran 4.2 compiler that I heard performs very well on opterons? What I have are Fortran77, Fortran95, and Intel iFort. I believe I can found gfortran 4.2, while I can't consider anything more. Thanks for advice francesco pietra ____________________________________________________________________________________ The fish are biting. Get more visitors on your site using Yahoo! Search Marketing. http://searchmarketing.yahoo.com/arp/sponsoredsearch_v2.php -- To UNSUBSCRIBE, email to [EMAIL PROTECTED] with a subject of "unsubscribe". Trouble? Contact [EMAIL PROTECTED]
