Thank you very much Prof. L. Mark, "ldd lapw0" returned linux-vdso.so.1 => (0x00007fff3cfa7000) libiomp5.so => /software/intel2015-1/composer_xe_2015.3.187/compiler/lib/intel64/libiomp5.so (0x00002b8340b5f000) libpthread.so.0 => /lib64/libpthread.so.0 (0x00002b8340e9f000) libm.so.6 => /lib64/libm.so.6 (0x00002b83410bf000) libdl.so.2 => /lib64/libdl.so.2 (0x00002b83413c7000) libc.so.6 => /lib64/libc.so.6 (0x00002b83415cf000) /lib64/ld-linux-x86-64.so.2 (0x00002b8340937000) libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00002b8341997000) The compilation and execution was done using composer_xe_2015.3.187, libiomp5.so seems to be in right directory. Please which part of compilation option should I edit, and I couldn't figure out what you mean by static compilation in this case. The system admin is interested, so I have already forward the link to this thread to him/them. With kind regards Lawal
On Thursday, January 10, 2019, 10:17:23 AM GMT+8, Laurence Marks <l-ma...@northwestern.edu> wrote: Try "ldd lapw0" to see what shared libraries are being used, then edit your compilation options to do static compilation. Depending upon what compiler your have the options will change; do "ifort --help | more" or "ifort --help > Fort.txt" and read.... (or gfortran, etc). At least for the non-mpi you can build lapw0 & others without any shared libraries. I have never seen this fail, but it might. On Wed, Jan 9, 2019, 19:58 Lawal Mohammed <mohammedlawa...@yahoo.com wrote: Dear Developers and Users, I am facing a problem and need your help.The issue is an error when I submitted a job on cluster machine. The error message is: Calculating Bismuthtest1 in /home/username/WIEN2k/Bismuthtest1on node5 with PID 21645using WIEN2k_18.2 (Release 17/7/2018) in /software/wien2k-18.2 start (Thu Jan 10 09:48:12 CST 2019) with lapw0 (100/99 to go) cycle 1 (Thu Jan 10 09:48:12 CST 2019) (100/99 to go) > lapw0 -p (09:48:12) starting parallel lapw0 at Thu Jan 10 09:48:12 CST >2019-------- .machine0 : processorsrunning lapw0 in single mode0.022u 0.036s >0:00.08 62.5% 0+0k 0+56io 0pf+0werror: command >/software/wien2k-18.2/lapw0para lapw0.def failed> stop error In the output file the error is:lapw0: relocation error: lapw0: symbol kmp_aligned_malloc, version VERSION not defined in file libiomp5.so with link time reference grep: *scf1*: No such file or directory grep: lapw2*.error: No such file or directory Many thanks to Gavin for pointing out that the error was due to clash between other libraries with the Intel Fortran library. However, after I reported the issue, system admin confirmed that the environmental variables was okay. Any help to rectify this issue is highly appreciated. I will provide addition information if needed. Thanks alot for your time.With kind regards. Lawal _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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