Known issues - Revision history

Attacc at 13:31, 3 April 2021

2021-04-03T13:31:25Z

← Older revision		Revision as of 13:31, 3 April 2021
Line 6:		Line 6:

	* '''gfortran compiler on MAC-OSX'''<br> There are different problems compiling Yambo with "gfortran" variant of the compiler/libraries with MacPorts, a possible solution it is to install the "gcc8" variant of these libraries and compilters. <br>More details here: [http://www.yambo-code.org/forum/viewtopic.php?t=1767 http://www.yambo-code.org/forum/viewtopic.php?t=1767]		* '''gfortran compiler on MAC-OSX'''<br> There are different problems compiling Yambo with "gfortran" variant of the compiler/libraries with MacPorts, a possible solution it is to install the "gcc8" variant of these libraries and compilters. <br>More details here: [http://www.yambo-code.org/forum/viewtopic.php?t=1767 http://www.yambo-code.org/forum/viewtopic.php?t=1767]

			* '''Input file generation on MacOSX'''<br> There are two issues on input file generation: 1) when you generate an input file on MacOSX Yambo is not able to read values already present in the input file, and reset them to the default value; 2) if yambo and ypp have the same option to generate an input file the code get confused. Please use long input strings, for example "yambo -optics" instead of "yambo -o".

Attacc at 14:59, 2 April 2021

2021-04-02T14:59:10Z

← Older revision		Revision as of 14:59, 2 April 2021
Line 1:		Line 1:
	* '''NetCDF/HDF5 in Ubuntu 20.4'''<br>Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo please use internal Yambo libraries		* '''NetCDF/HDF5 in Ubuntu 20.4'''<br>Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo please use internal Yambo libraries

	* '''Quantum-Espresso at GAMMA point'''<br> In Quantum-Espresso if you perform a SCF calculation using the option "KPOINTS gamma" you should use the same option for the NSCF otherwise Yambo gets confused with the g-vectors		* '''Quantum-Espresso at GAMMA point'''<br> In Quantum-Espresso if you perform a SCF calculation using the option "KPOINTS gamma" you should use the same option for the NSCF otherwise Yambo gets confused with the g-vectors. If you need more k-points in the NSCF just re-run the SCF with "KPOINTS automatic /1 1 1 0 0 0" and the run NSCF with a finite k-grid
	If you need more k-points in the NSCF just re-run the SCF with "KPOINTS automatic /1 1 1 0 0 0" and the run NSCF with a finite k-grid

	* '''Internal MAC-OSX libraries'''<br> At present it is no possible to compile Yambo with internal macos libraries Indeed, no include/system/netcdf.mod file is present in the system. The problem is due to Autoconf setting which automatically searches for versions of the needed libraries in your system despite the specific options given to configure. Then, it would compile the internal hdf5, then find an external netcdf, then try to compile netcdf-fortran creating various conflicts.		* '''Internal MAC-OSX libraries'''<br> At present it is no possible to compile Yambo with internal macos libraries Indeed, no include/system/netcdf.mod file is present in the system. The problem is due to Autoconf setting which automatically searches for versions of the needed libraries in your system despite the specific options given to configure. Then, it would compile the internal hdf5, then find an external netcdf, then try to compile netcdf-fortran creating various conflicts.

	* '''gfortran compiler on MAC-OSX'''<br> There are different problems compiling Yambo with "gfortran" variant of the compiler/libraries with MacPorts, a possible solution it is to install the "gcc8" variant of these libraries and compilters. More details here: [http://www.yambo-code.org/forum/viewtopic.php?t=1767 http://www.yambo-code.org/forum/viewtopic.php?t=1767]		* '''gfortran compiler on MAC-OSX'''<br> There are different problems compiling Yambo with "gfortran" variant of the compiler/libraries with MacPorts, a possible solution it is to install the "gcc8" variant of these libraries and compilters. <br>More details here: [http://www.yambo-code.org/forum/viewtopic.php?t=1767 http://www.yambo-code.org/forum/viewtopic.php?t=1767]

Attacc at 14:58, 2 April 2021

2021-04-02T14:58:44Z

@@ Line 1: / Line 1: @@
-* NetCDF/HDF5 in Ubuntu 20.4<br>
+* '''NetCDF/HDF5 in Ubuntu 20.4'''<br>Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo  please use internal Yambo libraries
-* Quantum-Espresso at GAMMA point
+* '''Quantum-Espresso at GAMMA point'''<br>  In Quantum-Espresso if you perform a SCF calculation using the option "KPOINTS gamma"   you should use the same option for the NSCF otherwise Yambo gets confused with the g-vectors
-   ===============================
+    If you need more k-points in the NSCF just re-run the SCF with "KPOINTS automatic /1 1 1 0 0 0"     and the run NSCF with a finite k-grid
-* Internal MAC-OSX libraries
+* '''Internal MAC-OSX libraries'''<br>  At present it is no possible to compile Yambo with internal macos libraries  Indeed, no include/system/netcdf.mod file is present in the system.    The problem is due to  Autoconf setting which automatically searches for versions     of the needed libraries in your system despite the specific options given to configure.    Then, it would compile the internal hdf5, then find an external netcdf,    then try to compile netcdf-fortran creating various conflicts.
-* gfortran compiler on MAC-OSX
+* '''gfortran compiler on MAC-OSX'''<br> There are different problems compiling Yambo with "gfortran"  variant of the compiler/libraries with MacPorts,    a possible solution it is to install the "gcc8" variant of these libraries and compilters. More details here: [http://www.yambo-code.org/forum/viewtopic.php?t=1767 http://www.yambo-code.org/forum/viewtopic.php?t=1767]

Attacc at 14:57, 2 April 2021

2021-04-02T14:57:15Z

← Older revision		Revision as of 14:57, 2 April 2021
Line 1:		Line 1:
	* NetCDF/HDF5 in Ubuntu 20.4		* NetCDF/HDF5 in Ubuntu 20.4<br>
	==========================		==========================<br>
	Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo		Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo<br>
	please use internal Yambo libraries		please use internal Yambo libraries

Attacc: Created page with "* NetCDF/HDF5 in Ubuntu 20.4 ========================== Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo please use internal..."

2021-04-02T14:56:56Z

Created page with "* NetCDF/HDF5 in Ubuntu 20.4 ========================== Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo please use internal..."

New page

* NetCDF/HDF5 in Ubuntu 20.4
==========================
Internal NetCDF and HDF5 libraries in LinuxMint 20.1/Ubuntu 20.4 have problems with Yambo
please use internal Yambo libraries

* Quantum-Espresso at GAMMA point
===============================
In Quantum-Espresso if you perform a SCF calculation using the option "KPOINTS gamma"
you should use the same option for the NSCF otherwise Yambo gets confused with the g-vectors
If you need more k-points in the NSCF just re-run the SCF with "KPOINTS automatic /1 1 1 0 0 0"
and the run NSCF with a finite k-grid

* Internal MAC-OSX libraries
===================================
At present it is no possible to compile Yambo with internal macos libraries
Indeed, no include/system/netcdf.mod file is present in the system.
The problem is due to Autoconf setting which automatically searches for versions
of the needed libraries in your system despite the specific options given to configure.
Then, it would compile the internal hdf5, then find an external netcdf,
then try to compile netcdf-fortran creating various conflicts.

* gfortran compiler on MAC-OSX
=======================================
There are different problems compiling Yambo with "gfortran"
variant of the compiler/libraries with MacPorts,
a possible solution it is to install the "gcc8" variant of these libraries and compilters
More details here: http://www.yambo-code.org/forum/viewtopic.php?t=1767