[Wien] FINDLOC issue with latest version of Wien2k with fortran v.15
Gavin Abo
gabo13279 at gmail.com
Wed Feb 16 13:24:16 CET 2022
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
> <http://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
>> <http://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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