compiling error with parallel vasp

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
lanjh

compiling error with parallel vasp

#1 Post by lanjh » Wed Sep 19, 2007 7:26 am

Hello, I am compile vasp of parallel version. Now I have install vasp in my own account(not root), and the blas and lapack files are also placed in this account. But when I execute vasp, the following is generated:
the err.out
/export/home/lanjh/bin/vasp-p: error while loading shared libraries: libsvml.so: cannot open shared object file: No such file or directory
forrtl: error (69): process interrupted (SIGINT)

std.out
p0_32602: p4_error: Child process exited while making connection to remote process on console: 0
p0_32602: (2.167969) net_send: could not write to fd=4, errno = 32

I have test the mpirun in my account, It can work. Can anyone tell me what is wrong ?
Last edited by lanjh on Wed Sep 19, 2007 7:26 am, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

compiling error with parallel vasp

#2 Post by admin » Wed Sep 26, 2007 1:37 pm

does your $LD_LIBRARY_PATH and your $PATH include the directroies where you have placed the libraries on your account?
Last edited by admin on Wed Sep 26, 2007 1:37 pm, edited 1 time in total.

lanjh

compiling error with parallel vasp

#3 Post by lanjh » Thu Sep 27, 2007 12:22 am

I think I have set the directory. The following is my setting.

BLAS= /export/home/lanjh/LIB/libgoto_prescottp-r1.15.so -lsvml
LAPACK=/export/home/lanjh/vasp.4.lib/lapack_double.o
LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)
LINK = -L/export/intel/compiler/lib/ -lsvml

Morever, whether I set the lib for mpi can not help to sovle the error. Can you give me some advice? Thanks
Last edited by lanjh on Thu Sep 27, 2007 12:22 am, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

compiling error with parallel vasp

#4 Post by admin » Thu Sep 27, 2007 8:14 am

please check if /export/intel/compiler/lib/ is in the $LD_LIBRARY_PATH during runtime of your job. the error message says that the library libsvml is not found. So if vasp was compiled without error, (i.e., the library exists) , the only reason for the crash can be that it is not accessible during runtime
Last edited by admin on Thu Sep 27, 2007 8:14 am, edited 1 time in total.

lanjh

compiling error with parallel vasp

#5 Post by lanjh » Fri Nov 16, 2007 1:52 pm

Thanks for you reply. I have done some tests as below
a) echo $LD_LIBRARY_PATH:
/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/opt/intel/fc/10.0.026/lib:/usr/local/lib:usr/lib:lib:/usr/local/lib:usr/lib:lib:/usr/local/lib:usr/lib:lib:/usr/local/lib:usr/lib:lib:/usr/local/lib:usr/lib:lib
b) ldd ./bin/vasp
libsvml.so => /opt/intel/fc/10.0.026/lib/libsvml.so (0x00bd9000)
/home/lanjh/LIB/libgoto_core2p-r1.15.so (0x00286000)
libm.so.6 => /lib/tls/libm.so.6 (0x00645000)
libc.so.6 => /lib/tls/libc.so.6 (0x00519000)
libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x0090a000)
libdl.so.2 => /lib/libdl.so.2 (0x0066a000)
libpthread.so.0 => /lib/tls/libpthread.so.0 (0x0075b000)
/lib/ld-linux.so.2 (0x004fc000)

c) locate libsvml.so

warning: locate: could not open database: /var/lib/slocate/slocate.db: No such file or directory
warning: You need to run the 'updatedb' command (as root) to create the database.
Please have a look at /etc/updatedb.conf to enable the daily cron job.

Now I don't known how to solve this problem. If this library is not accessible during runtime, how to check?
Last edited by lanjh on Fri Nov 16, 2007 1:52 pm, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

compiling error with parallel vasp

#6 Post by admin » Fri Nov 16, 2007 2:31 pm

obviously, your libsvml.a (BLAS) is not available at runtime, because /export/intel/compiler/lib/ is missing in the $LD_LIBRARY_PATH.
please adjust the $LD_LIBRARY_PATH path such that all directories which contain libraries which are linked are really included
Last edited by admin on Fri Nov 16, 2007 2:31 pm, edited 1 time in total.

Post Reply