[Wien] FINDLOC issue with latest version of Wien2k with fortran v.15
Dr. K. C. Bhamu
kcbhamu85 at gmail.com
Wed Feb 16 16:01:31 CET 2022
Thanks Gavin,
I have tried with the bash tool kit as well.
I will write in the oneapi forum. Thanks for the suggestion.
Regards
Bhamu
On Wed, Feb 16, 2022 at 5:54 PM Gavin Abo <gabo13279 at gmail.com> wrote:
> Intel oneAPI has its own support forums such as "Intel oneAPI
> Registration" and "Toolkits & SDKs" at [1]. The group in the forums over
> there is likely to be more experienced with oneAPI installations.
>
> In your previous post, it looked like you were installing the oneAPI HPC
> Toolkit (i.e., l_HPCKit_p_2022.1.2.117_offline.sh). OneAPI has multiple
> toolkits [2]. One possibility is that the missing Sqlite SQL might be part
> of the oneAPI Base Toolkit such that you might have to install it first
> before installing the oneAPI HPC Toolkit.
> [1]
> https://community.intel.com/t5/Developer-Software-Forums/ct-p/developer-software-forums
> [2]
> https://www.intel.com/content/www/us/en/developer/tools/oneapi/toolkits.html
>
> On 2/16/2022 4:34 AM, Dr. K. C. Bhamu wrote:
>
> 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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