Dear Paolo<br><br>Thanks for your reply; it is the results of list dynamic dependencies command for pw.x binary of QE (4.2) and QE (4.3.1) :<br><br><b>looki@looki:~$ ldd /home/looki/QE4.3.1/QE/bin/pw.x</b> <br><br> linux-vdso.so.1 => (0x00007fff489e2000)<br>
libfftw3.so.3 => /usr/lib/libfftw3.so.3 (0x00007fe662b13000)<br> libmkl_intel_lp64.so => not found <br> libmkl_sequential.so => not found<br> libmkl_core.so => not found<br> libmpi_f90.so.0 => /usr/lib/libmpi_f90.so.0 (0x00007fe66290e000)<br>
libmpi_f77.so.0 => /usr/lib/libmpi_f77.so.0 (0x00007fe6626d5000)<br> libmpi.so.0 => /usr/lib/libmpi.so.0 (0x00007fe662425000)<br> libopen-rte.so.0 => /usr/lib/libopen-rte.so.0 (0x00007fe6621d9000)<br> libopen-pal.so.0 => /usr/lib/libopen-pal.so.0 (0x00007fe661f64000)<br>
libdl.so.2 => /lib/libdl.so.2 (0x00007fe661d60000)<br> libnsl.so.1 => /lib/libnsl.so.1 (0x00007fe661b46000)<br> libutil.so.1 => /lib/libutil.so.1 (0x00007fe661942000)<br> libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x00007fe661655000)<br>
libm.so.6 => /lib/libm.so.6 (0x00007fe6613d2000)<br> libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x00007fe6611ba000)<br> libpthread.so.0 => /lib/libpthread.so.0 (0x00007fe660f9d000)<br> libc.so.6 => /lib/libc.so.6 (0x00007fe660c1a000)<br>
/lib64/ld-linux-x86-64.so.2 (0x00007fe662e30000)<br><br><b>looki@looki:~$ ldd /home/looki/QE4.2/QE/bin/pw.x </b><br><br> linux-vdso.so.1 => (0x00007fff61dff000)<br> libfftw3.so.3 => /usr/lib/libfftw3.so.3 (0x00007f4ae2c3f000)<br>
libblas.so.3gf => /usr/lib/atlas/libblas.so.3gf (0x00007f4ae22a4000)<br> libmpi_f90.so.0 => /usr/lib/libmpi_f90.so.0 (0x00007f4ae209f000)<br> libmpi_f77.so.0 => /usr/lib/libmpi_f77.so.0 (0x00007f4ae1e67000)<br>
libmpi.so.0 => /usr/lib/libmpi.so.0 (0x00007f4ae1bb7000)<br> libopen-rte.so.0 => /usr/lib/libopen-rte.so.0 (0x00007f4ae196a000)<br> libopen-pal.so.0 => /usr/lib/libopen-pal.so.0 (0x00007f4ae16f6000)<br>
libdl.so.2 => /lib/libdl.so.2 (0x00007f4ae14f2000)<br> libnsl.so.1 => /lib/libnsl.so.1 (0x00007f4ae12d7000)<br> libutil.so.1 => /lib/libutil.so.1 (0x00007f4ae10d4000)<br> libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x00007f4ae0de7000)<br>
libm.so.6 => /lib/libm.so.6 (0x00007f4ae0b63000)<br> libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x00007f4ae094c000)<br> libpthread.so.0 => /lib/libpthread.so.0 (0x00007f4ae072f000)<br> libc.so.6 => /lib/libc.so.6 (0x00007f4ae03ab000)<br>
/lib64/ld-linux-x86-64.so.2 (0x00007f4ae2f5c000)<br><br> <br> Although the exact path of MKL libraries was included in .bashrc file, as it is shown "libmkl_intel_lp64.so" and some other *.so files were not found by QE (4.3.1). In addition, I have copied the library files to /usr/lib and for a test the code was configured with including the path of library directory by LIBDIR. In all tries both QE (4.2) and QE(4.3.1) compiles well but QE (4.3.1) could not find shared libraries such as libmkl_intel_lp64.so and stopped. I appreciate your help in advance. <div>
<div style="text-align: center;"><span style="font-family: 'Comic Sans MS'; font-size: 12px; line-height: 14px;"><br></span></div><div style="text-align: center;"><span style="font-family: 'Comic Sans MS'; font-size: 12px; line-height: 14px;"><br>
</span></div><div style="text-align: center;"><span style="font-family: 'Comic Sans MS'; font-size: 12px; line-height: 14px;">Best Wishes</span></div><div style="text-align: center;"><span style="font-family: 'Comic Sans MS'; font-size: 12px; line-height: 14px;"><br>
</span></div><span style="color: black; font-family: 'Comic Sans MS'; font-size: 9pt; line-height: 14px;"><div style="text-align: center;"> Masoud</div><div style="text-align: center;"><br></div><div style="text-align: center;">
<br></div><div style="text-align: center;"><br></div></span><span style="color: black; font-family: 'Comic Sans MS'; font-size: 9pt; line-height: 14px;">--------------</span><br><span style="color: black; font-family: 'Comic Sans MS'; font-size: 9pt; line-height: 14px;">Masoud Nahali, Sharif University of Technology</span></div>
<div><span style="color: black; font-family: 'Comic Sans MS'; font-size: 9pt; line-height: 14px;"><a href="mailto:masoud.nahali@gmail.com" target="_blank">masoud.nahali@gmail.com</a>; <a href="http://alum.sharif.edu/%7Em_nahali" target="_blank">alum.sharif.edu/~m_nahali</a></span></div>
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<div class="gmail_quote"><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<br>
On Fri, 2011-07-01 at 03:08 +0430, Masoud Nahali wrote:<br>
<br>
> The MKL libraries path was exactly included in the .bashrc file,<br>
> ...] I can run all examples of QE (version 4.2) successfully and for<br>
> the 4.3 and 4.3.1 ones I get the error while loading shared libraries:<br>
> libmkl_intel_lp64.so: cannot open shared object file: No such file or<br>
> directory. It is strange for me what makes such difference.<br></blockquote><div><br> </div><div> On Fri, Jul 1, 2011 at 11:48 AM, <span dir="ltr"></span>Paolo Giannozzi wrote:<br><br> </div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
if I remember correctly, v.4.2 was linking *.a (static) mkl libraries,<br>
while v 4.3 links *.so (shared) libraries, by default. You can verify<br>
this using "ldd executable-file-name". If a compiled code doesn't<br>
find shared libraries, there is something incorrect in your init files.<br>
<br>
P.<br>
--<br>
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy<br>
<br>
<br>
<br>
<br></blockquote></div><br>