[CP2K-user] [CP2K:14042] Hi...while instaling cp2k via cygwin getting error
Krack Matthias (PSI)
matthi... at psi.ch
Wed Oct 14 11:49:10 UTC 2020
Try to remove the compiler flag “–ffast-math” from FCFLAGS.
From: cp... at googlegroups.com <cp... at googlegroups.com> On Behalf Of sumit agrawal
Sent: Mittwoch, 14. Oktober 2020 12:07
To: cp... at googlegroups.com
Subject: Re: [CP2K:14042] Hi...while instaling cp2k via cygwin getting error
Dear matthias,
After your suggestion I added a flag to FCFLAGS. But this time after a long time of compilation, I got an error again. Error is as follows:
gfortran -c -O2 -ffast-math -funroll-loops -ftree-vectorize -ffree-form -fallow-argument-mismatch -D__FFTSG -D__COMPILE_ARCH="\"Cygwin-i686-gfortran\"" -D__COMPILE_DATE="\"Wed, Oct 14, 2020 3:28:01 PM\"" -D__COMPILE_HOST="\"DESKTOP-RGFVIHK\"" -D__COMPILE_REVISION="\"git:e635599\"" -D__DATA_DIR="\"/cp2k-7.1/data\"" -D__SHORT_FILE__="\"environment.F\"" -I'/cp2k-7.1/src/' -I'/cp2k-7.1/obj/Cygwin-i686-gfortran/sopt/exts/dbcsr' environment.F90
/cp2k-7.1/src/environment.F:223:2:
223 | #error -ffast-math (GCC) or -hfpN (N>0, Cray) can lead to wrong results and numerical instabilities and are therefore no longer supported
| 1~~~~
Error: #error -ffast-math (GCC) or -hfpN (N>0, Cray) can lead to wrong results and numerical instabilities and are therefore no longer supported
make[3]: *** [/cp2k-7.1/Makefile:466: environment.o] Error 1
make[2]: *** [/cp2k-7.1/Makefile:134: all] Error 2
make[1]: *** [/cp2k-7.1/Makefile:123: sopt] Error 2
make: *** [Makefile:118: all] Error 2
User at DESKTOP-RGFVIHK /cp2k-7.1
I have attached the arch file of cp2k.
On Wed, Oct 14, 2020 at 3:18 PM Krack Matthias (PSI) <matthi... at psi.ch<mailto:matthi... at psi.ch>> wrote:
In that arch file, add the flag to FCFLAGS.
Matthias
From: cp... at googlegroups.com<mailto:cp... at googlegroups.com> <cp... at googlegroups.com<mailto:cp... at googlegroups.com>> On Behalf Of sumit agrawal
Sent: Mittwoch, 14. Oktober 2020 09:37
To: cp... at googlegroups.com<mailto:cp... at googlegroups.com>
Subject: Re: [CP2K:14039] Hi...while instaling cp2k via cygwin getting error
Dear Matthias,
Thanks for the help. I added to CFLAGS in the Cygwin-i686-gfortran.sopt file. I again get errors as follows:
/cp2k-7.1/src/pw/realspace_grid_types.F:921:27:
910 | CALL dcopy(nn, sendbuf, 1, pw%cr3d, 1)
| 2
......
921 | CALL dcopy(nn, pw%cc3d, 2, sendbuf, 1)
| 1
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
make[3]: *** [/cp2k-7.1/Makefile:466: realspace_grid_types.o] Error 1
make[2]: *** [/cp2k-7.1/Makefile:134: all] Error 2
make[1]: *** [/cp2k-7.1/Makefile:123: sopt] Error 2
make: *** [Makefile:118: all] Error 2
I have attached the arch file of cp2k which I am using to compile.
On Wed, Oct 14, 2020 at 2:05 PM vasanth kumar <vasan... at gmail.com<mailto:vasan... at gmail.com>> wrote:
hi
I am following this to install cp2k, but getting error like I said in previous email
https://www.cp2k.org/exercises:2019_uzh_acpc2:installation
On Wed, 14 Oct 2020 at 12:48, Krack Matthias (PSI) <matthi... at psi.ch<mailto:matthi... at psi.ch>> wrote:
Hi
If you are using a recent GNU compiler version like 10.2 then adding the compiler flag “–fallow-argument-mismatch” might help.
HTH
Matthias
From: cp... at googlegroups.com<mailto:cp... at googlegroups.com> <cp... at googlegroups.com<mailto:cp... at googlegroups.com>> On Behalf Of sumit agrawal
Sent: Mittwoch, 14. Oktober 2020 07:36
To: cp... at googlegroups.com<mailto:cp... at googlegroups.com>
Subject: Re: [CP2K:14034] Hi...while instaling cp2k via cygwin getting error
Hii,
I also tried with cp2k version 7.1, but in this case the errors were as following:
/cp2k-7.1/src/pw/realspace_grid_types.F:921:27:
910 | CALL dcopy(nn, sendbuf, 1, pw%cr3d, 1)
| 2
......
921 | CALL dcopy(nn, pw%cc3d, 2, sendbuf, 1)
| 1
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
make[3]: *** [/cp2k-7.1/Makefile:466: realspace_grid_types.o] Error 1
make[2]: *** [/cp2k-7.1/Makefile:134: all] Error 2
make[1]: *** [/cp2k-7.1/Makefile:123: sopt] Error 2
make: *** [Makefile:118: all] Error 2
Please help me.
Thanks
On Tue, Oct 13, 2020 at 8:50 PM Amir Said <amirsa... at gmail.com<mailto:amirsa... at gmail.com>> wrote:
Dear Vasanth kumar,
I also have the same problem i'm trying from last two weeks but it make the problem as same like you
On Tue, Oct 13, 2020 at 5:11 PM vasanth kumar <vasan... at gmail.com<mailto:vasan... at gmail.com>> wrote:
Hi
I am unable to install cp2k in my windows-10 , it showing the error....copied below
VASANTH at LAPTOP-UL1N39OG ~/cp2k-7.1/makefiles
$ make ARCH=Cygwin-i686-gfortran VERSION=sopt
Discovering programs ...
Removing stale archives for sopt ...
Resolving dependencies for sopt ...
makedep error: Module filename format must be either of "lower", "upper", or "no".
make[2]: *** [/home/VASANTH/cp2k-7.1/makefiles/Makefile:389: makedep] Error 1
make[1]: *** [/home/VASANTH/cp2k-7.1/makefiles/Makefile:118: sopt] Error 2
make: *** [makefile:113: all] Error 2
pl suggest the solution
thanks in advance
--
With Regards
Dr. V. Vasantha Kumar
Assoc. Prof. of Physics
Vignan Institute of Technology and Science
Hyderabad.
Mob:9959363113
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With Regards
Dr. V. Vasantha Kumar
Assoc. Prof. of Physics
Vignan Institute of Technology and Science
Hyderabad.
Mob:9959363113
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