[Wien] FINDLOC issue with latest version of Wien2k with fortran v.15
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Wed Feb 16 12:34:52 CET 2022
Dear Gavin,
Thanks for your detailed reply.
I have followed your suggestion but the problem still persists.
I have three directories: installercache oneapi packagemanager
kcbhamu at kcbhamu:~$ls oneapi/installer/lib
libQt6Core5Compat.so libQt6QmlModels.so
libQt6QuickLayouts.so libQt6XcbQpa.so libxcb-render.so
libxcb-sync.so libxcb-xkb.so
libQt6Core5Compat.so.6 libQt6QmlModels.so.6
libQt6QuickLayouts.so.6 libQt6XcbQpa.so.6 libxcb-render.so.0
libxcb-sync.so.1 libxcb-xkb.so.1
libQt6Core5Compat.so.6.1.3 libQt6QmlModels.so.6.1.3
libQt6QuickLayouts.so.6.1.3 libQt6XcbQpa.so.6.1.3
libxcb-render.so.0.0.0 libxcb-sync.so.1.0.0 libxcb-xkb.so.1.0.0
libQt6Core.so libQt6Qml.so
libQt6QuickShapes.so libxcb-icccm.so
libxcb-render-util.so libxcb-util.so libxkbcommon.so
libQt6Core.so.6 libQt6Qml.so.6
libQt6QuickShapes.so.6 libxcb-icccm.so.4
libxcb-render-util.so.0 libxcb-util.so.1 libxkbcommon.so.0
libQt6Core.so.6.1.3 libQt6Qml.so.6.1.3
libQt6QuickShapes.so.6.1.3 libxcb-icccm.so.4.0.0
libxcb-render-util.so.0.0.0 libxcb-util.so.1.0.0
libxkbcommon.so.0.0.0
libQt6DBus.so libQt6QmlWorkerScript.so
libQt6Quick.so libxcb-image.so libxcb-shape.so
libxcb-xfixes.so libxkbcommon-x11.so
libQt6DBus.so.6 libQt6QmlWorkerScript.so.6
libQt6Quick.so.6 libxcb-image.so.0 libxcb-shape.so.0
libxcb-xfixes.so.0 libxkbcommon-x11.so.0
libQt6DBus.so.6.1.3 libQt6QmlWorkerScript.so.6.1.3
libQt6Quick.so.6.1.3 libxcb-image.so.0.0.0
libxcb-shape.so.0.0.0 libxcb-xfixes.so.0.0.0
libxkbcommon-x11.so.0.0.0
libQt6Gui.so libQt6QuickControls2Impl.so
libQt6QuickTemplates2.so libxcb-keysyms.so libxcb-shm.so
libxcb-xinerama.so
libQt6Gui.so.6 libQt6QuickControls2Impl.so.6
libQt6QuickTemplates2.so.6 libxcb-keysyms.so.1 libxcb-shm.so.0
libxcb-xinerama.so.0
libQt6Gui.so.6.1.3 libQt6QuickControls2Impl.so.6.1.3
libQt6QuickTemplates2.so.6.1.3 libxcb-keysyms.so.1.0.0
libxcb-shm.so.0.0.0 libxcb-xinerama.so.0.0.0
libQt6Network.so libQt6QuickControls2.so
libQt6Widgets.so libxcb-randr.so libxcb.so
libxcb-xinput.so
libQt6Network.so.6 libQt6QuickControls2.so.6
libQt6Widgets.so.6 libxcb-randr.so.0 libxcb.so.1
libxcb-xinput.so.0
libQt6Network.so.6.1.3 libQt6QuickControls2.so.6.1.3
libQt6Widgets.so.6.1.3 libxcb-randr.so.0.1.0 libxcb.so.1.1.0
libxcb-xinput.so.0.1.0
Thank you very much
Bhamu
On Wed, Feb 16, 2022 at 4:30 PM Gavin Abo <gabo13279 at gmail.com> wrote:
> With your offline install [1] command below, it will likely try to install
> it in Intel's default location (/opt/intel) which is typically for root
> permissions.
>
> You would need to install it in a user directory that you have user
> permission to. That might be for example /home/username/intel. As seen
> at [2], the --install-dir option may need to be added to your command:
>
> bash ./l_HPCKit_p_2022.1.2.117_offline.sh -s -a --silent --eula accept --install-dir
> /home/username/intel
>
> According to [3], before executing the above command, you might also need
> to set $HOME as well, for example in the terminal with:
>
> export HOME=/home/username/intel
>
> You may also need to ask your administrative staff what user directories
> are available and what free disk space is available for each of them. For
> an all component install, the Intel webpage at [4] shows upwards of about
> 30 GB (=24 GB for components + 6 GB temporary space) is needed. Though at
> [2], there is a --components option that you might be able to use to
> install a minimized set of components [5] such as Intel Fortran Compiler
> Classic (intel.oneapi.lin.ifort-compiler) in the oneAPI HPC Toolkit and
> Intel MKL (intel.oneapi.lin.mkl.devel) in the oneAPI Base Toolkit.
> [1] https://www.youtube.com/watch?v=VC_ucczGR_Y
> [2]
> https://www.intel.com/content/www/us/en/develop/documentation/installation-guide-for-intel-oneapi-toolkits-linux/top/installation/install-with-command-line.html
> [3]
> https://community.intel.com/t5/Intel-oneAPI-Registration/oneAPI-installation-fails/td-p/1299826
> [4]
> https://www.intel.com/content/www/us/en/developer/articles/system-requirements/intel-oneapi-base-toolkit-system-requirements.html
> [5] https://oneapi-src.github.io/oneapi-ci/#linux-web-installer
>
> On 2/15/2022 9:00 PM, Dr. K. C. Bhamu wrote:
>
> Dear Prof. Peter,
> I have tried to install oneapi but getting another error of SQL:
> bash ./l_HPCKit_p_2022.1.2.117_offline.sh -s -a --silent --eula accept
> Checking system requirements...
> Done.
> Wait while the installer is preparing...
> Done.
> Launching the installer...
> Installer failed with the error Sqlite SQL execution failed.
> #----
>
> and I do not see any compilers in oneapi directory.
>
> #---
> From SQL installation procedure, I see it needs a root access:
> https://phoenixnap.com/kb/sql-server-linux
>
>
> Any help will be appreciated.
>
> Regards
> Bhamu
>
> On Mon, Feb 7, 2022 at 4:13 PM Peter Blaha <pblaha at theochem.tuwien.ac.at>
> wrote:
>
>> You probably can install it. root is not required. Try it.
>> Am 07.02.2022 um 11:31 schrieb Dr. K. C. Bhamu:
>>
>> Thanks Prof. Peter.
>>
>> But unfortunately I can not install this version in cluster. Admistrative
>> staff also denied as they are moved on GPU so not helping for CPU
>> calculations.
>>
>>
>> Regards
>> Bhamu
>>
>> On Mon, Feb 7, 2022, 7:27 PM Peter Blaha <pblaha at theochem.tuwien.ac.at>
>> wrote:
>>
>>> It does not work with an old compiler.
>>>
>>> The intel compiler is now free.
>>> Am 07.02.2022 um 11:02 schrieb Dr. K. C. Bhamu:
>>>
>>> A gentle reminder for the help.
>>>
>>> Regards
>>> Bhamu
>>>
>>> On Fri, Feb 4, 2022 at 8:10 AM Dr. K. C. Bhamu <kcbhamu85 at gmail.com>
>>> wrote:
>>>
>>>> Dear Experts,
>>>> I am facing an issue [1] with a recent version of Wien2k installation
>>>> with Fortran v.15 "composer_xe_2015.2.164".
>>>> Earlier reported issue was resolved by upgrading the Fortran version.
>>>> But for me, I have no choice of updating the intel compilers.
>>>>
>>>> Could someone please help me to resolve this issue?
>>>>
>>>> [1].
>>>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21006.html
>>>>
>>>> Please let me know what else information you need.
>>>>
>>>> Regards
>>>> Bhamu
>>>>
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