Search found 29 matches

by letuan
Fri Oct 23, 2020 4:44 am
Forum: Configuring and compiling ABINIT
Topic: Abinit-9.0.4 make error with Fortran on Rocks 7.0 [SOLVED]
Replies: 5
Views: 6059

Re: Abinit-9.0.4 make error with Fortran on Rocks 7.0 [SOLVED]

Dear Eric, Thank to your advice. I understand, of course, that upgrading gnu is surely much better than downgrading the Abinit versions. But problem is in the fact, that gnu is used in Rocks clustering package, and for my cluster I cannot, at this moment, find out any more suitable and convenient cl...
by letuan
Wed Aug 26, 2020 4:34 pm
Forum: Configuring and compiling ABINIT
Topic: Abinit-9.0.4 make error with Fortran on Rocks 7.0 [SOLVED]
Replies: 5
Views: 6059

Re: Abinit-9.0.4 make error with Fortran on Rocks 7.0 [SOLVED]

Thanks to admin for the reply. It is sad that I have to come back to some older versions of the package,
by letuan
Tue Aug 25, 2020 7:32 am
Forum: Configuring and compiling ABINIT
Topic: Abinit-9.0.4 make error with Fortran on Rocks 7.0 [SOLVED]
Replies: 5
Views: 6059

Abinit-9.0.4 make error with Fortran on Rocks 7.0 [SOLVED]

I tried many times to install Abinit on newly installed Rocks 7.0 frontend, but with no success. 1. With Abinit-8.10.3, everything goes smoothly until the last module (98_main), when linking with the module 52_fft_mpi_noabirule, there some reference misunderstanding with FFTW, though I had installed...
by letuan
Sat Apr 25, 2020 9:01 am
Forum: Configuring and compiling ABINIT
Topic: Abinit for windows 10 64bits
Replies: 3
Views: 3784

Re: Abinit for windows 10 64bits

Hi stalebhacine, You can enable the Linux Subsystem in Windows 10 (in Apps and Features), then choose some simplified Linux version from MS Store. And compile Abinit package like in a real Linux system. But, be aware, because recently I have found that it is not able to update/add packages for MS ve...
by letuan
Fri Apr 26, 2019 8:48 am
Forum: Configuring and compiling ABINIT
Topic: Compilation of Abinit-8.10.1 fails on SL 7.6
Replies: 2
Views: 3068

Re: Compilation of Abinit-8.10.1 fails on SL 7.6

Dear JMB, Yes, I compile openmpi v. 4.0 and fftw v. 3.3.8 for all computers before installing Abinit. The computers are on various platforms: Ubuntu v. 18.04 and OpenSuSE in Linux Subsystems for MS Windows 10 (for the first Abinit installation failed), on true SL, CentOS and OpenSuSE Leap and Tumble...
by letuan
Fri Mar 15, 2019 7:22 am
Forum: Response calculations
Topic: Sudden break of running task with error not source code file [SOLVED]
Replies: 1
Views: 2956

Re: Sudden break of running task with error not source code  [SOLVED]

Solved!
It was accidentally adding one blank line in the 1st row ò the .files file instead of the input filename by someone.
PS: How to put the sign "SOLVED" in the topic name?
by letuan
Fri Mar 15, 2019 5:40 am
Forum: Response calculations
Topic: Sudden break of running task with error not source code file [SOLVED]
Replies: 1
Views: 2956

Sudden break of running task with error not source code file [SOLVED]

My small system was OpenLeap 42.3 on MS Windows 10 as in Linux subsystem. The OpenMPI v. 4.0.0, fftw3 v.3.3.8 were installed with GNU C, C++ and Fortran compilers. Abinit v.8.10.1 was well compiled and installed. I use it for optimization and phonon calculations until last night. At running calculat...
by letuan
Sat Jan 05, 2019 6:09 pm
Forum: Configuring and compiling ABINIT
Topic: Compilation of Abinit-8.10.1 fails on SL 7.6
Replies: 2
Views: 3068

Compilation of Abinit-8.10.1 fails on SL 7.6

I am facing with this error many times in my Scientific Linux v.7.6 distro and I cannot fix it : make[3]: Entering directory `/home/letuan/Programs/abinit-8.10.1/src/98_main' /usr/local/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/home/letuan/Programs/abinit-8.10.1/fal...
by letuan
Sun Nov 11, 2018 3:49 am
Forum: Configuring and compiling ABINIT
Topic: abinit-8.8.4 under Windows 10
Replies: 2
Views: 5991

Re: abinit-8.8.4 under Windows 10

After repeating Rajaraman's receipt, I have stopped by the error as described in https://forum.abinit.org/viewtopic.php?f=3&t=3956 with Ubuntu 18.04 LTS on Windows 10 64-bit. The effort with abinit-8.8.4 gave the same result. Then I have switched on SuSE Leap 42.2. (for SuSE Enterprise Server 12...
by letuan
Wed Nov 07, 2018 5:32 pm
Forum: Configuring and compiling ABINIT
Topic: abinit-8.8.4 under Windows 10
Replies: 2
Views: 5991

Re: abinit-8.8.4 under Windows 10

Sorry, I am a new on Ubuntu.
What do you mean under xxxx.yy for proxy in the command phrase [Acquire::http::Proxy "http://username:password@proxy.xxxx.yy:portno";] ?

Thank you, Rajaraman.
by letuan
Sat Mar 12, 2016 4:56 am
Forum: Other tools and postprocessing in ABINIT
Topic: Problem with ABINITBandStructureMaker
Replies: 9
Views: 15963

Re: Problem with ABINITBandStructureMaker

I have the similar difficulty with AbinitBandStructureMaker.py at the second step of its running. The first step with the creation .dbs file was made smoothly (probably with "nband" parameter, though in my .dbs file it was figured as 24?): ========================================= AbinitBa...
by letuan
Mon Jul 01, 2013 4:06 pm
Forum: Response calculations
Topic: Error: npw is not equal to npw1
Replies: 1
Views: 2669

Error: npw is not equal to npw1

Hello everybody, Trying repeat the Tutorial trf2 (m) for bcc Li, I have ran into the following error: rwwf.F90:382:BUG Reading option of rwwf. One should have npw=npw1 However, npw=9093, and npw1=4533. Action : contact ABINIT group. Because I am a new user here, so I hope somebody can help me to fix...
by letuan
Wed Apr 24, 2013 4:31 am
Forum: Configuring and compiling ABINIT
Topic: config parallel abinit with intel fortran compiler [SOLVED]
Replies: 11
Views: 11345

Re: configuring parallel abinit with intel fortran compiler [SOLVED]

Hi Janpreet, Obviously, you have compiled your abinit package I guess the problem is in the lack of memory in your system? Try to decrease ecut in input file, for example, ecut=20. And I don't understand why you do have "max_nprocs=1" in your input file? I use "make check" right ...
by letuan
Mon Apr 22, 2013 4:00 pm
Forum: Configuring and compiling ABINIT
Topic: config parallel abinit with intel fortran compiler [SOLVED]
Replies: 11
Views: 11345

Re: configuring parallel abinit with intel fortran compiler [SOLVED]

Hi again,
Please, look at the last messages in my topic viewtopic.php?f=3&t=2071 :)
And you will find out the solution.
Tuan.
by letuan
Mon Apr 22, 2013 3:51 pm
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

Re: [Solved]Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

Thank you, Yann Puillon.
The only thing left for me at the moment is the message about lacking -lwannier path when I tried to compile with Wannier90 fallback.
Tuan.
by letuan
Mon Apr 22, 2013 3:43 pm
Forum: Configuring and compiling ABINIT
Topic: config parallel abinit with intel fortran compiler [SOLVED]
Replies: 11
Views: 11345

Re: configuring parallel abinit with intel fortran compiler [SOLVED]

Hi Janpreet Sidhu, Did you issue the command source [Install_dir_for_Intel_composer_xe_version]/compilervars.sh intel64 right after installation of Intel Fortran compiler (there is instruction in messages at the end of the installation)? For example, in my machine with Intel Parallel Studio XE 2013 ...
by letuan
Sun Apr 21, 2013 4:49 am
Forum: Configuring and compiling ABINIT
Topic: config parallel abinit with intel fortran compiler [SOLVED]
Replies: 11
Views: 11345

Re: configuring parallel abinit with intel fortran compiler [SOLVED]

Hi Janpreet Sidhu, The error "HAVE_MPI1 and HAVE_MPI2 are both undefined" occurs when there is a conflict between "built-in" (that is those came in your Linux distribution) and installed by you libraries, I guess. It happens also during unsuccessfully repeated installation effort...
by letuan
Wed Apr 17, 2013 2:33 am
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

Re: [Solved]Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

Dear Alain,
OK. I switched to fftw-3.3.3 from www.fftw.org.
After issuing 'make check' my Abinit shown the same messages as for the Abinit v. 7.0.5.
Thank you again, Alain :)
Tuan
by letuan
Mon Apr 15, 2013 9:12 am
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

[Solved] Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

[Solved] I have made some un-normal operation for compiling Abinit 7.2.1 + openmpi 1.7 + Intel Fortran compiler 13.1 with FFTW. The procedure is following: 1. Install Intel Parallel Studio XE 2013 Update 3. After compiling, I went into folder <instal-dir>/mkl/interfaces/fftw3xf, and issued the comma...
by letuan
Sun Apr 14, 2013 4:44 pm
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

Re: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

Hi Alain and jbeyuken, I spent a lot of time, even did instatlation from scratch (reinstall Linux, Intel C++ and Fortran compilers v.13.1, openmpi v. 1.6.4 and v. 1.7), but still faced with the "catastrophic error" as reported in the first message!!! It seemed to be right the paths for env...
by letuan
Fri Apr 12, 2013 8:55 am
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

Re: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

Hi Alain, Thank you for response. I think I've missed the step "export LD_LIBRARY_PATH...$LD_LIBRARY_PATH" for openMPI (but I already have these lines in .bash-profile, why there is no effect if I dis not issue the environment setting?) Sorry, I will decsribe in more details in next mesage...
by letuan
Wed Apr 10, 2013 12:14 pm
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

Re: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

Dear jbeuken and everyones, I repeated your recipe but unsuccessfully, the same error exists. In config.log I saw eventually the compilers are GNU, not icc and ifort. So I added "FC=/usr/local/bin/mpif90 CC=icc CXX=icpc" for sure to the file build.ac. Then, I installed additionally fftw fr...
by letuan
Sat Apr 06, 2013 6:44 am
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

Re: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

Hi jbeuken,
I will try your recipe.
Thank you.
by letuan
Fri Apr 05, 2013 9:26 am
Forum: Configuring and compiling ABINIT
Topic: Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]
Replies: 16
Views: 27032

Abinit-7.2.1 compilation error with fftw3-mkl [SOLVED]

Hi everyone, I browsed the topic but did not see the similar (by my very few experience) error so I would like to get a help. I use IBM x3550, 2xXeon 5230 QC, 8 GB RAM with Scientific Linux 6.4, Intel Parallel Studio XE 2013 Update 3, OpenMPI-1.6.4. Recently I decided to reinstall Abinit with using ...
by letuan
Fri Feb 01, 2013 4:43 am
Forum: Configuring and compiling ABINIT
Topic: abinit installation error in make
Replies: 10
Views: 7145

Re: abinit installation error in make

Dear Alain,
The running "make tests_acc4" seems to not show any error message.
Thank you for help.
Tuan