Dear Dr Nick, Thank you. I understand what happened. I wrote atomic coordinate in a external file:
%block AtomicCoordinatesAndAtomicSpecies < file.dat %endblock AtomicCoordinatesAndAtomicSpecies In earlier versions this work it (3.2). But in SIESTA-4.0 and SIESTA-4.1, doesn't work. I just put the atomic coordinates in FDF and it works fine. Thanks Jonathan 2017-02-27 5:01 GMT-03:00 Nick Papior <[email protected]>: > Your question on Launchpad has been answered, secondly. Please use the > latest version, 4.0-b2 is a beta release, the stable 4.0 is released. > > 2017-02-24 5:38 GMT+01:00 Sunetra Das <[email protected]>: > >> Dear All, >> I am getting the following error while trying to install siesta-4.0-b2: >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> *m_dminim.o: In function >> `minim_cg_sparse':/home/sunetra/Desktop/siesta-4.0-b2/Src/m_dminim.F90:1724: >> undefined reference to >> `dsytrf_'/home/sunetra/Desktop/siesta-4.0-b2/Src/m_dminim.F90:1728: >> undefined reference to `dsytri_'m_zminim.o: In function >> `minim_cg':/home/sunetra/Desktop/siesta-4.0-b2/Src/m_zminim.F90:996: >> undefined reference to >> `zhetrf_'/home/sunetra/Desktop/siesta-4.0-b2/Src/m_zminim.F90:1000: >> undefined reference to `zhetri_'m_zminim.o: In function >> `minim_cg_sparse':/home/sunetra/Desktop/siesta-4.0-b2/Src/m_zminim.F90:1864: >> undefined reference to >> `zhetrf_'/home/sunetra/Desktop/siesta-4.0-b2/Src/m_zminim.F90:1868: >> undefined reference to `zhetri_'m_svd.o: In function >> `__m_svd_MOD_solve_with_svd':/home/sunetra/Desktop/siesta-4.0-b2/Src/m_svd.F90:59: >> undefined reference to `dgelss_'collect2: error: ld returned 1 exit >> statusmake: *** [siesta] Error 1* >> Kindly help me in this regard as I need to upgrade from my current siesta >> version 3.2-pl-5. >> Thanks in advance. >> >> Sunetra Das >> > > > > -- > Kind regards Nick >
