[Wien] problem in wien2k 11 installation

Gavin Abo gsabo at crimson.ua.edu
Sat May 26 22:00:15 CEST 2012


Modify wien2k.conf, so that you have:

/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64
/opt/intel/composer_xe_2011_sp1.9.293/compiler/lib/intel64

The 2nd line will set the path to "libiomp5.so".

Alternatively, you can add -static to link options and recompile.

L Linker Flags: $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread -static

Note: You can try -static-intel or -i-static, but it might not 
statically link the mkl libraries like -static.

On 5/26/2012 2:40 PM, Laurence Marks wrote:
>
> Note, the not found occurs in both cases. Do a make clean in the lapw1 
> directory then recompile that alone. Copy it to $WIENROOT then do ldd 
> again. It may also be that you have incorrect library options.
>
> To avoid this I normaly use -i-static
>
> On May 26, 2012 2:32 PM, "Jameson Maibam" <j.maibam_official at yahoo.com 
> <mailto:j.maibam_official at yahoo.com>> wrote:
>
>     Dear sir
>     As per your instruction I type in the terminal  "ldd
>     $WIENROOT/lapw0" and I got
>     [root at localhost wien2k]# ldd $WIENROOT/lapw0
>     linux-vdso.so.1 => (0x00007fff9cfff000)
>     libmkl_intel_lp64.so => not found
>     libmkl_intel_thread.so => not foundlibmkl_core.so => not found
>     libpthread.so.0 => /lib64/libpthread.so.0 (0x00002b843f616000)
>     libm.so.6 => /lib64/libm.so.6 (0x00002b843f833000)
>     libiomp5.so => not found
>     libdl.so.2 => /lib64/libdl.so.2 (0x00002b843fab7000)
>     libc.so.6 => /lib64/libc.so.6 (0x00002b843fcbc000)
>     libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00002b844005d000)
>     /lib64/ld-linux-x86-64.so.2 (0x00002b843f3f4000)
>     Then I create a wien2k.conf file containing
>     "/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64" at
>     cd /etc/ld.so.conf.d and loaded.
>     Then I checked again. This time I got the following:
>     [root at localhost wien2k]# ldd $WIENROOT/lapw0
>     linux-vdso.so.1 => (0x00007fff091ff000)
>     libmkl_intel_lp64.so =>
>     /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_lp64.so
>     (0x00002b2c156be000)
>     libmkl_intel_thread.so =>
>     /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_thread.so
>     (0x00002b2c15e71000)
>     libmkl_core.so =>
>     /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_core.so
>     (0x00002b2c16ece000)
>     libpthread.so.0 => /lib64/libpthread.so.0 (0x00002b2c17f09000)
>     libm.so.6 => /lib64/libm.so.6 (0x00002b2c18126000)
>     libiomp5.so => not found
>     libdl.so.2 => /lib64/libdl.so.2 (0x00002b2c183aa000)
>     libc.so.6 => /lib64/libc.so.6 (0x00002b2c185af000)
>     libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00002b2c18950000)
>     /lib64/ld-linux-x86-64.so.2 (0x00002b2c1549c000)
>     This results in the following error while running scf:
>     /home/james/wien2k/lapw0: error while loading shared libraries:
>     libiomp5.so: cannot open shared object file: No such file or
>     directory > stop error
>     Please help me.
>     Jameson Maibam
>     Assam university
>
>
>
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