dear list users, I have successfully compiled all programs of espresso 2.1.5 on a P4 cluster with very aggressive optimization options (-O3 -tpp7 -xN -unroll -r8 -pc64). pw.x works very well both in serial and parallel runs but cp.x and fpmd.x don't. Although cp.x works in serial run, it failed in parallel execution. fpmd.x is the worst, it fails in both serial and parallel runs.
fpmd.x (example21) both serial and parallel runs (serial is run on local computer) got same error message as below (memory addresses are different): ... some results of calculation (mostly initialization, I think) ... running the calculation with 32 H2O molecules... *** glibc detected *** free(): invalid next size (fast) : 0x1bebfad8 *** forrtl: error (76): IOT trap signal cp.x (example18) serial run is OK. parallel run got error below: ... some results of calculation ... forrtl: No such file or directory forrtl: severe (29): file not found, unit 93, file /my/home/espresso-2.1.5/examples/example18/results/ .//fort.93 ...... Note: the serial and parallel runs use same parallel version of cp.x and fpmd.x. I also tried to compile a less optimized version with option -O2 -tpp7 -r8 -pc64, but got same problem. In both aggressive and less optimized versions, Intel MKL libraries were linked statically (-i-static option). Other libraries may be linked dynamically. But my compute nodes are homogenous architecture with precisely equivalent OS and other stuff, including Intel icc, ifort, and MKL. Thanks in advance. Huiqun Zhou Can anybody give me a pointer? -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20050930/19d831d8/attachment.htm
