I can not run Dalton under Windows 10:
Code: Select all
--> ERROR (GPOPEN) UPON TRYING TO OPEN FILE ON UNIT 1
--> with filename DALTON.STAT
--> IOSTAT ERROR CODE RETURNED 6
Any suggestions?
Code: Select all
--> ERROR (GPOPEN) UPON TRYING TO OPEN FILE ON UNIT 1
--> with filename DALTON.STAT
--> IOSTAT ERROR CODE RETURNED 6
Dear Pete,taylor wrote: You must surely see that more information is needed about what you are doing, under what software environment, and how you built the code, for anyone, not telepathic, to assist.
Code: Select all
E:\Dalton2011\bin>set BASDIR=E:\Dalton2011\basis
E:\Dalton2011\bin>dalton.exe -d
--> ERROR (GPOPEN) UPON TRYING TO OPEN FILE ON UNIT 1
--> with filename DALTON.STAT
--> IOSTAT ERROR CODE RETURNED 6
QTRACE dump of internal trace stack
========================
level module
========================
2 GPOPEN
1 DALTON main
========================
--- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
Date and time (Linux) : Thu Oct 01 11:20:19 2015
Host name : Ascalaph
Reason: ERROR (GPOPEN) UPON OPENING A FILE
>>>> Total CPU time used in DALTON: 0.00 seconds
>>>> Total wall time used in DALTON: 0.00 seconds
QTRACE dump of internal trace stack
========================
level module
========================
2 GPOPEN
1 DALTON main
========================
Site http://daltonprogram.org/www/features.html said that:taylor wrote:You have added almost zero information content to your previous posting. "Almost" because you say you erased "it" after compiling. What is "It"? Your operating system? In that case you could install WinXP, or Win8, which you already know work. If Cygwin, why? Is you disk so small you cannot accommodate the few GB that Cygwin requires? Is it the compiler suite, which you for whatever reason are unwilling to identify?
You are wasting our time. Two of us have already asked you to provide details of your setup so that someone can try to help. You have provided no details whatsoever. It is clear that either you are not seriously interested in assistance, or you somehow think we can magically solve your problems with a wave of the magician's wand. In the first case, well, no-one pays us, so why should we, when you don't even answer our attempts to find out what it is you are doing? In the second, we would be fabulously well-paid magicians and would not need to be wasting our time trying to help completely unresponsive individuals such as yourself.
Best regards
Pete
From what you said, I realized that no one tested Dalton under the current operating system (Windows 10).Dalton has been tested on the following platforms:
* Linux
* Darwin (Mac OS X)
* Windows-cygwin
our current support for Windows is limited due to the factagilemolecule wrote:Since the site claims that Dalton supports Windows, I would like to ask what compiler use developers?
Can they provide a binary file?
We have not tested it on every flavor of Linux either, and I am not sure we have tested it on OSX 10.11 yet. Do you want us to change these declarations as well?agilemolecule wrote: From what you said, I realized that no one tested Dalton under the current operating system (Windows 10).
In such case it makes а sense to change the declaration.
I setup the yesterday Cygwin.jfurness wrote:I've got a Windows 10 box at home, so this evening I booted up Cygwin and cloned a fresh copy of DALTON from the repo and gave it a go.
I built dalton as simply as possible by running the setup script, then cd-ing to the build directory and running make. This compiled without problem using GCC version 4.9.3 and cmake 3.3.1 installed from the Cygwin setup package.
Code: Select all
$ ./setup
FC=gfortran CC=gcc CXX=g++ cmake -DENABLE_MPI=OFF -DENABLE_SGI_MPT=OFF -DENABLE_OMP=OFF -DENABLE_64BIT_INTEGERS=OFF -DENABLE_OPENACC=OFF -DENABLE_COLLAPSE=OFF -DENABLE_CSR=OFF -DENABLE_SCALASCA=OFF -DENABLE_VAMPIRTRACE=OFF -DENABLE_TIMINGS=OFF -DENABLE_XCFUN=OFF -DENABLE_INTEREST=OFF -DENABLE_ICHOR=OFF -DENABLE_STATIC_LINKING=OFF -DENABLE_SCALAPACK=OFF -DCMAKE_BUILD_TYPE=release /home/amnikitin/DALTON-Source
CMake Error at /usr/share/cmake-3.3.1/Modules/CMakeTestFortranCompiler.cmake:54 (message):
The Fortran compiler "/usr/bin/gfortran.exe" is not able to compile a
simple test program.
It fails with the following output:
Change Dir: /home/amnikitin/DALTON-Source/build/CMakeFiles/CMakeTmp
Run Build Command:"/usr/bin/make.exe" "cmTC_bde8b/fast"
/usr/bin/make -f CMakeFiles/cmTC_bde8b.dir/build.make
CMakeFiles/cmTC_bde8b.dir/build
make[1]: Entering directory
'/home/amnikitin/DALTON-Source/build/CMakeFiles/CMakeTmp'
Building Fortran object CMakeFiles/cmTC_bde8b.dir/testFortranCompiler.f.o
/usr/bin/gfortran.exe -c
/home/amnikitin/DALTON-Source/build/CMakeFiles/CMakeTmp/testFortranCompiler.f
-o CMakeFiles/cmTC_bde8b.dir/testFortranCompiler.f.o
CMakeFiles/cmTC_bde8b.dir/build.make:65: recipe for target
'CMakeFiles/cmTC_bde8b.dir/testFortranCompiler.f.o' failed
make[1]: Leaving directory
'/home/amnikitin/DALTON-Source/build/CMakeFiles/CMakeTmp'
C:/cygwin/lib/gcc/i686-pc-cygwin/4.9.3/f951.exe: error while loading shared
libraries: cygisl-10.dll: cannot open shared object file: No such file or
directory
make[1]: *** [CMakeFiles/cmTC_bde8b.dir/testFortranCompiler.f.o] Error 1
Makefile:126: recipe for target 'cmTC_bde8b/fast' failed
make: *** [cmTC_bde8b/fast] Error 2
CMake will not be able to correctly generate this project.
Call Stack (most recent call first):
CMakeLists.txt:18 (project)
-- Changed cmake policy to version 3.0, except for policy CMP037
-- The Fortran compiler identification is unknown
-- The C compiler identification is unknown
-- The CXX compiler identification is unknown
-- Check for working Fortran compiler: /usr/bin/gfortran.exe
-- Check for working Fortran compiler: /usr/bin/gfortran.exe -- broken
-- Configuring incomplete, errors occurred!
See also "/home/amnikitin/DALTON-Source/build/CMakeFiles/CMakeOutput.log".
See also "/home/amnikitin/DALTON-Source/build/CMakeFiles/CMakeError.log".
On the contrary, it is you have spent my time. At the same time you get a salary for this work.taylor wrote:I repeat what I said earlier. You are wasting our time. As well, as you have already admitted, your own.
Dear Alexei,agilemolecule wrote:
On the contrary, it is you have spent my time. At the same time you get a salary for this work.
Your program is not working. Why it does not matter. Entering the World of Windows you are required to maintain our quality standards.
"You accept that the experimental nature of the Dalton2015 programs means that there is no warranty of correctness of results nor fitness for a particular purpose. You understand that the authors of Dalton2015 cannot be held responsible in any way for any consequences arising from the use of a Dalton2015 program."
Dear Kenneth,kennethruud wrote: As Radovan, I hope that the tone in forum can be nice.
Best wishestaylor wrote:I repeat what I said earlier. You are wasting our time. As well, as you have already admitted, your own.
Interestingly about the "leisure PC".jfurness wrote:I'll reiterate what others have said. I can really recommend you install a linux distro for work like this. Windows can be nice for a leisure PC, but for getting work done linux or OSX really can't be beaten. You'll save yourself time in the long run.
Re: distributing a binary. As Pete has pointed out there are legal considerations, but on a practical note understanding how to build and maintain the programs you rely on is a vital skill for working in this domain. If for example you upgrade your system and can't rebuild, you might hit problems...
The point is that when we update Windows, we do not compile anything. On most machines, we do not even have a compiler. Once compiled programs run for decades, across the line of operating systems. What has happened now is certainly greetings from the world of Linux.jfurness wrote: If for example you upgrade your system and can't rebuild, you might hit problems...
Sorry to trouble you.jfurness wrote: With that said, if and only if you are dead set on this course...
jfurness wrote:The lines that are concerning are:
-- The Fortran compiler identification is unknown
-- The C compiler identification is unknown
-- The CXX compiler identification is unknown
This suggests the compilers are missing. Confirm they are present and up to date by running
gcc -v
g++ -v
gfortran -v
Code: Select all
$ gcc -v
Using built-in specs.
COLLECT_GCC=gcc
COLLECT_LTO_WRAPPER=/usr/lib/gcc/i686-pc-cygwin/4.9.3/lto-wrapper.exe
Target: i686-pc-cygwin
Configured with: /cygdrive/i/szsz/tmpp/gcc/gcc-4.9.3-1.i686/src/gcc-4.9.3/configure --srcdir=/cygdrive/i/szsz/tmpp/gcc/gcc-4.9.3-1.i686/src/gcc-4.9.3 --prefix=/usr --exec-prefix=/usr --localstatedir=/var --sysconfdir=/etc --docdir=/usr/share/doc/gcc --htmldir=/usr/share/doc/gcc/html -C --build=i686-pc-cygwin --host=i686-pc-cygwin --target=i686-pc-cygwin --without-libiconv-prefix --without-libintl-prefix --libexecdir=/usr/lib --enable-shared --enable-shared-libgcc --enable-static --enable-version-specific-runtime-libs --enable-bootstrap --enable-__cxa_atexit --with-dwarf2 --with-arch=i686 --with-tune=generic --disable-sjlj-exceptions --enable-languages=ada,c,c++,fortran,java,lto,objc,obj-c++ --enable-graphite --enable-threads=posix --enable-libatomic --enable-libgomp --disable-libitm --enable-libquadmath --enable-libquadmath-support --enable-libssp --enable-libada --enable-libjava --enable-libgcj-sublibs --disable-java-awt --disable-symvers --with-ecj-jar=/usr/share/java/ecj.jar --with-gnu-ld --with-gnu-as --with-cloog-include=/usr/include/cloog-isl --without-libiconv-prefix --without-libintl-prefix --with-system-zlib --enable-linker-build-id
Thread model: posix
gcc version 4.9.3 (GCC)
$ g++ -v
Using built-in specs.
COLLECT_GCC=g++
COLLECT_LTO_WRAPPER=/usr/lib/gcc/i686-pc-cygwin/4.9.3/lto-wrapper.exe
Target: i686-pc-cygwin
Configured with: /cygdrive/i/szsz/tmpp/gcc/gcc-4.9.3-1.i686/src/gcc-4.9.3/configure --srcdir=/cygdrive/i/szsz/tmpp/gcc/gcc-4.9.3-1.i686/src/gcc-4.9.3 --prefix=/usr --exec-prefix=/usr --localstatedir=/var --sysconfdir=/etc --docdir=/usr/share/doc/gcc --htmldir=/usr/share/doc/gcc/html -C --build=i686-pc-cygwin --host=i686-pc-cygwin --target=i686-pc-cygwin --without-libiconv-prefix --without-libintl-prefix --libexecdir=/usr/lib --enable-shared --enable-shared-libgcc --enable-static --enable-version-specific-runtime-libs --enable-bootstrap --enable-__cxa_atexit --with-dwarf2 --with-arch=i686 --with-tune=generic --disable-sjlj-exceptions --enable-languages=ada,c,c++,fortran,java,lto,objc,obj-c++ --enable-graphite --enable-threads=posix --enable-libatomic --enable-libgomp --disable-libitm --enable-libquadmath --enable-libquadmath-support --enable-libssp --enable-libada --enable-libjava --enable-libgcj-sublibs --disable-java-awt --disable-symvers --with-ecj-jar=/usr/share/java/ecj.jar --with-gnu-ld --with-gnu-as --with-cloog-include=/usr/include/cloog-isl --without-libiconv-prefix --without-libintl-prefix --with-system-zlib --enable-linker-build-id
Thread model: posix
gcc version 4.9.3 (GCC)
$ gfortran -v
Using built-in specs.
COLLECT_GCC=gfortran
COLLECT_LTO_WRAPPER=/usr/lib/gcc/i686-pc-cygwin/4.9.3/lto-wrapper.exe
Target: i686-pc-cygwin
Configured with: /cygdrive/i/szsz/tmpp/gcc/gcc-4.9.3-1.i686/src/gcc-4.9.3/configure --srcdir=/cygdrive/i/szsz/tmpp/gcc/gcc-4.9.3-1.i686/src/gcc-4.9.3 --prefix=/usr --exec-prefix=/usr --localstatedir=/var --sysconfdir=/etc --docdir=/usr/share/doc/gcc --htmldir=/usr/share/doc/gcc/html -C --build=i686-pc-cygwin --host=i686-pc-cygwin --target=i686-pc-cygwin --without-libiconv-prefix --without-libintl-prefix --libexecdir=/usr/lib --enable-shared --enable-shared-libgcc --enable-static --enable-version-specific-runtime-libs --enable-bootstrap --enable-__cxa_atexit --with-dwarf2 --with-arch=i686 --with-tune=generic --disable-sjlj-exceptions --enable-languages=ada,c,c++,fortran,java,lto,objc,obj-c++ --enable-graphite --enable-threads=posix --enable-libatomic --enable-libgomp --disable-libitm --enable-libquadmath --enable-libquadmath-support --enable-libssp --enable-libada --enable-libjava --enable-libgcj-sublibs --disable-java-awt --disable-symvers --with-ecj-jar=/usr/share/java/ecj.jar --with-gnu-ld --with-gnu-as --with-cloog-include=/usr/include/cloog-isl --without-libiconv-prefix --without-libintl-prefix --with-system-zlib --enable-linker-build-id
Thread model: posix
gcc version 4.9.3 (GCC)
It seems to me that the problem here. I do not know what is cygisl-10.dll, but I have another version - cygisl-13.dll.jfurness wrote:However, Looking at this line
C:/cygwin/lib/gcc/i686-pc-cygwin/4.9.3/f951.exe: error while loading shared
libraries: cygisl-10.dll: cannot open shared object file: No such file or
directory
Is there a list of things that are required during the installation? How to ensure that the true versions were delivered?jfurness wrote: Also, when you run the installer and are selecting the packages you want make sure you have selected All->Devel->gcc-core, gcc-g++ and gcc-fortran as well as All->Libs->libgcc1. You may also need Devel->cmake, binutils, cygwin-devel and make, along with any dependencies these may have.
Code: Select all
$ ctest
Test project /home/amnikitin/DALTON-Source/build
Start 1: dft_ac_grac
1/609 Test #1: dft_ac_grac ......................................***Failed 0.70 sec
Start 2: dft_b3lyp_cart
2/609 Test #2: dft_b3lyp_cart ...................................***Failed 0.67 sec
Start 3: dft_b3lyp_magsus_nosym
3/609 Test #3: dft_b3lyp_magsus_nosym ...........................***Failed 0.67 sec
Unfortunately, I do not see the error file and attached scratch folder.kennethruud wrote:Could you please upload an example output file, and possibly also the error file if you have it?
Kenneth
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