Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-04 Thread Filippo SPIGA 
Dear Fabricio,

are you running these tests manually or via test-suite?

Well, the error messages are quite clear so it is a matter of investigate if 
these are repsoducible. We are tracking bugs in a very "amateurial way" at the 
moment but we will look into it.

Thanks for reporting 

On Sep 3, 2016, at 1:50 AM, Fabricio Cannini  wrote:
> Hello there
> 
> I'm facing errors in a few tests of espresso 5.4.0.
> I'm compiling it a centos 6.x machine in the following manner:
> =
> FC = intel 15.0
> MPI = impi 5.0
> BLAS/LAPACK = mkl 11.2
> FFT = fftw 3.3.5
> 
> BLAS_LIBS="-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core"
> LAPACK_LIBS="-lmkl_core"
> FFT_LIBS="-lfftw3"
> FFLAGS="-O2 -assume byterecl -g -traceback -fpe0 -CB -openmp"
> MPIF90=mpiifort
> 
> ./configure --enable-openmp --enable-parallel --without-scalapack
> 
> make pw cp ph neb epw
> =
> 
> 
> When running the pw tests, some of those fail no matter how many mpi 
> processes I use.
> 
> 'pw_b3lyp/b3lyp-h2o.in' and 'pw_b3lyp/b3lyp-O.in' fail with the error 
> message:
> ---
> forrtl: severe (408): fort: (2): Subscript #1 of the array CORR has 
> value 12 which is greater than the upper bound of 10
> 
> Image  PCRoutineLine 
> Source
> pw.x   016F0EF0  Unknown   Unknown  Unknown
> pw.x   00D7B085  funct_mp_set_dft_ 597 
> funct.f90
> pw.x   00D79837  funct_mp_enforce_ 723 
> funct.f90
> pw.x   00E2E054  read_pseudo_mod_m 101 
> read_pseudo.f90
> pw.x   006EA301  iosys_   1444 
> input.f90
> pw.x   004080B9  run_pwscf_ 63 
> run_pwscf.f90
> pw.x   00407FBD  MAIN__ 30 
> pwscf.f90
> pw.x   00407F1E  Unknown   Unknown  Unknown
> libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
> pw.x   00407E29  Unknown   Unknown  Unknown
> ---
> 
> 
> 'pw_uspp/uspp-hyb-g.in' fails with the error message:
> ---
> forrtl: severe (408): fort: (2): Subscript #1 of the array DSPHER has 
> value 1 which is greater than the upper bound of 0
> 
> Image  PCRoutineLine 
> Source
> pw.x   016F0EF0  Unknown   Unknown  Unknown
> pw.x   00517B8C  realus_mp_real_sp 602 
> realus.f90
> pw.x   0050D056  realus_mp_addusfo1284 
> realus.f90
> pw.x   00AFB1F6  force_us_.L   113 
> force_us.f90
> pw.x   006A3415  forces_90 
> forces.f90
> pw.x   004081B8  run_pwscf_129 
> run_pwscf.f90
> pw.x   00407FBD  MAIN__ 30 
> pwscf.f90
> pw.x   00407F1E  Unknown   Unknown  Unknown
> libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
> pw.x   00407E29  Unknown   Unknown  Unknown
> ---
> 
> 
> 'pw_vdw/vdw-ts.in' fails with the error message:
> ---
> forrtl: severe (408): fort: (2): Subscript #1 of the array UTSVDW has 
> value 5201 which is greater than the upper bound of 5200
> 
> Image  PCRoutineLine 
> Source
> pw.x   016F0EF0  Unknown   Unknown  Unknown
> pw.x   00470436  v_of_rho_  92 
> v_of_rho.f90
> pw.x   0080AE0B  potinit_  227 
> potinit.f90
> pw.x   006D98F8  init_run_  99 
> init_run.f90
> pw.x   00408111  run_pwscf_ 78 
> run_pwscf.f90
> pw.x   00407FBD  MAIN__ 30 
> pwscf.f90
> pw.x   00407F1E  Unknown   Unknown  Unknown
> libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
> pw.x   00407E29  Unknown   Unknown  Unknown
> ---
> 
> 
> 
> All messages are similar so they may have a common cause, but I'm unable 
> to tell why exactly. Any ideas?
> 
> 
> TIA,
> Fabricio
> ___
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--
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-04 Thread Paolo Giannozzi 
These are out-of-bounds errors: the code is trying to access a non-existing
array element. This kind of errors is serious and must not be present. In
the specific case: the first two errors are harmless, since the
out-of-bound element is not assigned a value or used in calculations. The
third seems more serious. Apparently the array that goes out of bounds
serves no purpose, but I don't know much about that part of the code. Thank
you for reporting this.

Paolo

On Sat, Sep 3, 2016 at 2:50 AM, Fabricio Cannini  wrote:

> Hello there
>
> I'm facing errors in a few tests of espresso 5.4.0.
> I'm compiling it a centos 6.x machine in the following manner:
> =
> FC = intel 15.0
> MPI = impi 5.0
> BLAS/LAPACK = mkl 11.2
> FFT = fftw 3.3.5
>
> BLAS_LIBS="-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core"
> LAPACK_LIBS="-lmkl_core"
> FFT_LIBS="-lfftw3"
> FFLAGS="-O2 -assume byterecl -g -traceback -fpe0 -CB -openmp"
> MPIF90=mpiifort
>
> ./configure --enable-openmp --enable-parallel --without-scalapack
>
> make pw cp ph neb epw
> =
>
>
> When running the pw tests, some of those fail no matter how many mpi
> processes I use.
>
> 'pw_b3lyp/b3lyp-h2o.in' and 'pw_b3lyp/b3lyp-O.in' fail with the error
> message:
> ---
> forrtl: severe (408): fort: (2): Subscript #1 of the array CORR has
> value 12 which is greater than the upper bound of 10
>
> Image  PCRoutineLine
> Source
> pw.x   016F0EF0  Unknown   Unknown  Unknown
> pw.x   00D7B085  funct_mp_set_dft_ 597
> funct.f90
> pw.x   00D79837  funct_mp_enforce_ 723
> funct.f90
> pw.x   00E2E054  read_pseudo_mod_m 101
> read_pseudo.f90
> pw.x   006EA301  iosys_   1444
> input.f90
> pw.x   004080B9  run_pwscf_ 63
> run_pwscf.f90
> pw.x   00407FBD  MAIN__ 30
> pwscf.f90
> pw.x   00407F1E  Unknown   Unknown  Unknown
> libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
> pw.x   00407E29  Unknown   Unknown  Unknown
> ---
>
>
> 'pw_uspp/uspp-hyb-g.in' fails with the error message:
> ---
> forrtl: severe (408): fort: (2): Subscript #1 of the array DSPHER has
> value 1 which is greater than the upper bound of 0
>
> Image  PCRoutineLine
> Source
> pw.x   016F0EF0  Unknown   Unknown  Unknown
> pw.x   00517B8C  realus_mp_real_sp 602
> realus.f90
> pw.x   0050D056  realus_mp_addusfo1284
> realus.f90
> pw.x   00AFB1F6  force_us_.L   113
> force_us.f90
> pw.x   006A3415  forces_90
> forces.f90
> pw.x   004081B8  run_pwscf_129
> run_pwscf.f90
> pw.x   00407FBD  MAIN__ 30
> pwscf.f90
> pw.x   00407F1E  Unknown   Unknown  Unknown
> libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
> pw.x   00407E29  Unknown   Unknown  Unknown
> ---
>
>
> 'pw_vdw/vdw-ts.in' fails with the error message:
> ---
> forrtl: severe (408): fort: (2): Subscript #1 of the array UTSVDW has
> value 5201 which is greater than the upper bound of 5200
>
> Image  PCRoutineLine
> Source
> pw.x   016F0EF0  Unknown   Unknown  Unknown
> pw.x   00470436  v_of_rho_  92
> v_of_rho.f90
> pw.x   0080AE0B  potinit_  227
> potinit.f90
> pw.x   006D98F8  init_run_  99
> init_run.f90
> pw.x   00408111  run_pwscf_ 78
> run_pwscf.f90
> pw.x   00407FBD  MAIN__ 30
> pwscf.f90
> pw.x   00407F1E  Unknown   Unknown  Unknown
> libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
> pw.x   00407E29  Unknown   Unknown  Unknown
> ---
>
>
>
> All messages are similar so they may have a common cause, but I'm unable
> to tell why exactly. Any ideas?
>
>
> TIA,
> Fabricio
> ___
> Pw_forum mailing list
> Pw_forum@pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Ital

Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-04 Thread Paolo Giannozzi 
Well, no, the array that goes out of bounds serves some purpose: it
contains an additional potential term. 100% guaranteed bug. It affects only
the case of Tkatchenko-Scheffler correction for van der Waals forces (also
in CP) though.

Paolo

On Mon, Sep 5, 2016 at 7:17 AM, Paolo Giannozzi 
wrote:

> These are out-of-bounds errors: the code is trying to access a
> non-existing array element. This kind of errors is serious and must not be
> present. In the specific case: the first two errors are harmless, since the
> out-of-bound element is not assigned a value or used in calculations. The
> third seems more serious. Apparently the array that goes out of bounds
> serves no purpose, but I don't know much about that part of the code. Thank
> you for reporting this.
>
> Paolo
>
> On Sat, Sep 3, 2016 at 2:50 AM, Fabricio Cannini 
> wrote:
>
>> Hello there
>>
>> I'm facing errors in a few tests of espresso 5.4.0.
>> I'm compiling it a centos 6.x machine in the following manner:
>> =
>> FC = intel 15.0
>> MPI = impi 5.0
>> BLAS/LAPACK = mkl 11.2
>> FFT = fftw 3.3.5
>>
>> BLAS_LIBS="-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core"
>> LAPACK_LIBS="-lmkl_core"
>> FFT_LIBS="-lfftw3"
>> FFLAGS="-O2 -assume byterecl -g -traceback -fpe0 -CB -openmp"
>> MPIF90=mpiifort
>>
>> ./configure --enable-openmp --enable-parallel --without-scalapack
>>
>> make pw cp ph neb epw
>> =
>>
>>
>> When running the pw tests, some of those fail no matter how many mpi
>> processes I use.
>>
>> 'pw_b3lyp/b3lyp-h2o.in' and 'pw_b3lyp/b3lyp-O.in' fail with the error
>> message:
>> ---
>> forrtl: severe (408): fort: (2): Subscript #1 of the array CORR has
>> value 12 which is greater than the upper bound of 10
>>
>> Image  PCRoutineLine
>> Source
>> pw.x   016F0EF0  Unknown   Unknown
>> Unknown
>> pw.x   00D7B085  funct_mp_set_dft_ 597
>> funct.f90
>> pw.x   00D79837  funct_mp_enforce_ 723
>> funct.f90
>> pw.x   00E2E054  read_pseudo_mod_m 101
>> read_pseudo.f90
>> pw.x   006EA301  iosys_   1444
>> input.f90
>> pw.x   004080B9  run_pwscf_ 63
>> run_pwscf.f90
>> pw.x   00407FBD  MAIN__ 30
>> pwscf.f90
>> pw.x   00407F1E  Unknown   Unknown
>> Unknown
>> libc.so.6  0034F221ED1D  Unknown   Unknown
>> Unknown
>> pw.x   00407E29  Unknown   Unknown
>> Unknown
>> ---
>>
>>
>> 'pw_uspp/uspp-hyb-g.in' fails with the error message:
>> ---
>> forrtl: severe (408): fort: (2): Subscript #1 of the array DSPHER has
>> value 1 which is greater than the upper bound of 0
>>
>> Image  PCRoutineLine
>> Source
>> pw.x   016F0EF0  Unknown   Unknown
>> Unknown
>> pw.x   00517B8C  realus_mp_real_sp 602
>> realus.f90
>> pw.x   0050D056  realus_mp_addusfo1284
>> realus.f90
>> pw.x   00AFB1F6  force_us_.L   113
>> force_us.f90
>> pw.x   006A3415  forces_90
>> forces.f90
>> pw.x   004081B8  run_pwscf_129
>> run_pwscf.f90
>> pw.x   00407FBD  MAIN__ 30
>> pwscf.f90
>> pw.x   00407F1E  Unknown   Unknown
>> Unknown
>> libc.so.6  0034F221ED1D  Unknown   Unknown
>> Unknown
>> pw.x   00407E29  Unknown   Unknown
>> Unknown
>> ---
>>
>>
>> 'pw_vdw/vdw-ts.in' fails with the error message:
>> ---
>> forrtl: severe (408): fort: (2): Subscript #1 of the array UTSVDW has
>> value 5201 which is greater than the upper bound of 5200
>>
>> Image  PCRoutineLine
>> Source
>> pw.x   016F0EF0  Unknown   Unknown
>> Unknown
>> pw.x   00470436  v_of_rho_  92
>> v_of_rho.f90
>> pw.x   0080AE0B  potinit_  227
>> potinit.f90
>> pw.x   006D98F8  init_run_  99
>> init_run.f90
>> pw.x   00408111  run_pwscf_ 78
>> run_pwscf.f90
>> pw.x   00407FBD  MAIN__ 30
>> pwscf.f90
>> pw.x   00407F1E  Unknown   Unknown
>> Unknown
>> libc.so.6  0034F221ED1D  Unknown   Unknown
>> Unknown
>> pw.x   00407E29  Unknown   Unknown
>

Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-05 Thread Fabricio Cannini 
Em 04-09-2016 10:08, Filippo SPIGA escreveu:
> Dear Fabricio,

Hello Filippo,

> are you running these tests manually or via test-suite?

I'm running the tests via test-suite.

> Well, the error messages are quite clear so it is a matter of investigate if 
> these are repsoducible. We are tracking bugs in a very "amateurial way" at 
> the moment but we will look into it.
>
> Thanks for reporting

You're welcome.
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-05 Thread Paolo Giannozzi 
... and, I think, only the case in which the physical dimensions of FFT
arrays are larger than the FFT dimensions

Paolo

On Mon, Sep 5, 2016 at 7:30 AM, Paolo Giannozzi 
wrote:

> Well, no, the array that goes out of bounds serves some purpose: it
> contains an additional potential term. 100% guaranteed bug. It affects only
> the case of Tkatchenko-Scheffler correction for van der Waals forces (also
> in CP) though.
>
> Paolo
>
> On Mon, Sep 5, 2016 at 7:17 AM, Paolo Giannozzi 
> wrote:
>
>> These are out-of-bounds errors: the code is trying to access a
>> non-existing array element. This kind of errors is serious and must not be
>> present. In the specific case: the first two errors are harmless, since the
>> out-of-bound element is not assigned a value or used in calculations. The
>> third seems more serious. Apparently the array that goes out of bounds
>> serves no purpose, but I don't know much about that part of the code. Thank
>> you for reporting this.
>>
>> Paolo
>>
>> On Sat, Sep 3, 2016 at 2:50 AM, Fabricio Cannini 
>> wrote:
>>
>>> Hello there
>>>
>>> I'm facing errors in a few tests of espresso 5.4.0.
>>> I'm compiling it a centos 6.x machine in the following manner:
>>> =
>>> FC = intel 15.0
>>> MPI = impi 5.0
>>> BLAS/LAPACK = mkl 11.2
>>> FFT = fftw 3.3.5
>>>
>>> BLAS_LIBS="-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core"
>>> LAPACK_LIBS="-lmkl_core"
>>> FFT_LIBS="-lfftw3"
>>> FFLAGS="-O2 -assume byterecl -g -traceback -fpe0 -CB -openmp"
>>> MPIF90=mpiifort
>>>
>>> ./configure --enable-openmp --enable-parallel --without-scalapack
>>>
>>> make pw cp ph neb epw
>>> =
>>>
>>>
>>> When running the pw tests, some of those fail no matter how many mpi
>>> processes I use.
>>>
>>> 'pw_b3lyp/b3lyp-h2o.in' and 'pw_b3lyp/b3lyp-O.in' fail with the error
>>> message:
>>> ---
>>> forrtl: severe (408): fort: (2): Subscript #1 of the array CORR has
>>> value 12 which is greater than the upper bound of 10
>>>
>>> Image  PCRoutineLine
>>> Source
>>> pw.x   016F0EF0  Unknown   Unknown
>>> Unknown
>>> pw.x   00D7B085  funct_mp_set_dft_ 597
>>> funct.f90
>>> pw.x   00D79837  funct_mp_enforce_ 723
>>> funct.f90
>>> pw.x   00E2E054  read_pseudo_mod_m 101
>>> read_pseudo.f90
>>> pw.x   006EA301  iosys_   1444
>>> input.f90
>>> pw.x   004080B9  run_pwscf_ 63
>>> run_pwscf.f90
>>> pw.x   00407FBD  MAIN__ 30
>>> pwscf.f90
>>> pw.x   00407F1E  Unknown   Unknown
>>> Unknown
>>> libc.so.6  0034F221ED1D  Unknown   Unknown
>>> Unknown
>>> pw.x   00407E29  Unknown   Unknown
>>> Unknown
>>> ---
>>>
>>>
>>> 'pw_uspp/uspp-hyb-g.in' fails with the error message:
>>> ---
>>> forrtl: severe (408): fort: (2): Subscript #1 of the array DSPHER has
>>> value 1 which is greater than the upper bound of 0
>>>
>>> Image  PCRoutineLine
>>> Source
>>> pw.x   016F0EF0  Unknown   Unknown
>>> Unknown
>>> pw.x   00517B8C  realus_mp_real_sp 602
>>> realus.f90
>>> pw.x   0050D056  realus_mp_addusfo1284
>>> realus.f90
>>> pw.x   00AFB1F6  force_us_.L   113
>>> force_us.f90
>>> pw.x   006A3415  forces_90
>>> forces.f90
>>> pw.x   004081B8  run_pwscf_129
>>> run_pwscf.f90
>>> pw.x   00407FBD  MAIN__ 30
>>> pwscf.f90
>>> pw.x   00407F1E  Unknown   Unknown
>>> Unknown
>>> libc.so.6  0034F221ED1D  Unknown   Unknown
>>> Unknown
>>> pw.x   00407E29  Unknown   Unknown
>>> Unknown
>>> ---
>>>
>>>
>>> 'pw_vdw/vdw-ts.in' fails with the error message:
>>> ---
>>> forrtl: severe (408): fort: (2): Subscript #1 of the array UTSVDW has
>>> value 5201 which is greater than the upper bound of 5200
>>>
>>> Image  PCRoutineLine
>>> Source
>>> pw.x   016F0EF0  Unknown   Unknown
>>> Unknown
>>> pw.x   00470436  v_of_rho_  92
>>> v_of_rho.f90
>>> pw.x   0080AE0B  potinit_  227
>>> potinit.f90
>>> pw.x   006D98F8  init_run_  99
>>> init_run.f90
>>> pw.x   00408111  run_pwscf_ 78
>>> run_pwscf.f90
>>>

Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-05 Thread Fabricio Cannini 
Em 05-09-2016 14:11, Paolo Giannozzi escreveu:
> ... and, I think, only the case in which the physical dimensions of FFT
> arrays are larger than the FFT dimensions

Hi Filippo and Paolo,

I can make some more tests if it helps, just tell me what to do.


[ ]'d
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-06 Thread Filippo SPIGA 
On Sep 5, 2016, at 6:19 PM, Fabricio Cannini  wrote:
> I can make some more tests if it helps, just tell me what to do.

Grab this latest full snapshot of QE SVN repo I just generated 
http://qe-forge.org/snapshots/espresso-r12924-2016-09-07.tar.gz

It contains Paolo's fixes. Feel free to try run it and give us feedback if the 
issue you saw still persists on the machine you run the initial tests.

--
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-08 Thread Fabricio Cannini 
Em 06-09-2016 19:26, Filippo SPIGA escreveu:
> On Sep 5, 2016, at 6:19 PM, Fabricio Cannini  wrote:
>> I can make some more tests if it helps, just tell me what to do.
>
> Grab this latest full snapshot of QE SVN repo I just generated 
> http://qe-forge.org/snapshots/espresso-r12924-2016-09-07.tar.gz
>
> It contains Paolo's fixes. Feel free to try run it and give us feedback if 
> the issue you saw still persists on the machine you run the initial tests.

Hi Paolo and Filippo


The errors that I first reported are not happening anymore, thanks a lot.

However, a new error appeared when running 
'test-suite/pw_uspp/uspp-singlegrid.in' :
--
forrtl: severe (408): fort: (2): Subscript #1 of the array RHOG_ has 
value 1 which is greater than the upper bound of 0

Image  PCRoutineLine 
Source
pw.x   013D3560  Unknown   Unknown  Unknown
pw.x   0063ADE1  symme_mp_sym_rho_ 701 
symme.f90
pw.x   0060D72E  sum_band_ 184 
sum_band.f90
pw.x   0040CDA0  electrons_scf_509 
electrons.f90
pw.x   0040A661  electrons_138 
electrons.f90
pw.x   005E19E5  run_pwscf_103 
run_pwscf.f90
pw.x   004083D8  MAIN__ 36 
pwscf.f90
pw.x   004080FE  Unknown   Unknown  Unknown
libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
pw.x   00408009  Unknown   Unknown  Unknown
-


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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-08 Thread Paolo Giannozzi 
It does not look like a true bug, because the out-of-bound array element is
not used when the array is zero-sized. How many processors did you use to
make your test, by the way? at least one processor has no G-vectors

Paolo

On Thu, Sep 8, 2016 at 11:43 PM, Fabricio Cannini 
wrote:

> Em 06-09-2016 19:26, Filippo SPIGA escreveu:
> > On Sep 5, 2016, at 6:19 PM, Fabricio Cannini  wrote:
> >> I can make some more tests if it helps, just tell me what to do.
> >
> > Grab this latest full snapshot of QE SVN repo I just generated
> http://qe-forge.org/snapshots/espresso-r12924-2016-09-07.tar.gz
> >
> > It contains Paolo's fixes. Feel free to try run it and give us feedback
> if the issue you saw still persists on the machine you run the initial
> tests.
>
> Hi Paolo and Filippo
>
>
> The errors that I first reported are not happening anymore, thanks a lot.
>
> However, a new error appeared when running
> 'test-suite/pw_uspp/uspp-singlegrid.in' :
> --
> forrtl: severe (408): fort: (2): Subscript #1 of the array RHOG_ has
> value 1 which is greater than the upper bound of 0
>
> Image  PCRoutineLine
> Source
> pw.x   013D3560  Unknown   Unknown  Unknown
> pw.x   0063ADE1  symme_mp_sym_rho_ 701
> symme.f90
> pw.x   0060D72E  sum_band_ 184
> sum_band.f90
> pw.x   0040CDA0  electrons_scf_509
> electrons.f90
> pw.x   0040A661  electrons_138
> electrons.f90
> pw.x   005E19E5  run_pwscf_103
> run_pwscf.f90
> pw.x   004083D8  MAIN__ 36
> pwscf.f90
> pw.x   004080FE  Unknown   Unknown  Unknown
> libc.so.6  0034F221ED1D  Unknown   Unknown  Unknown
> pw.x   00408009  Unknown   Unknown  Unknown
> -
>
>
> [ ]'s
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-09 Thread Fabricio Cannini 
Em 09-09-2016 03:15, Paolo Giannozzi escreveu:
> It does not look like a true bug, because the out-of-bound array element
> is not used when the array is zero-sized. How many processors did you
> use to make your test, by the way? at least one processor has no G-vectors

I can reliably trigger this error using 16 cores, less than that it 
passes the test.

Other tests like thos in the 'pw_metal' directory begin to fail when 
using more than 16 cores.

[ ]'s

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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-10 Thread Paolo Giannozzi 
Tests are typically small. When run on many processors, they may give some
funny errors. It was nothing to worry about, but I fixed it anyway in the
development version. Thank you for reporting these errors

Paolo

On Fri, Sep 9, 2016 at 8:02 PM, Fabricio Cannini  wrote:

> Em 09-09-2016 03:15, Paolo Giannozzi escreveu:
> > It does not look like a true bug, because the out-of-bound array element
> > is not used when the array is zero-sized. How many processors did you
> > use to make your test, by the way? at least one processor has no
> G-vectors
>
> I can reliably trigger this error using 16 cores, less than that it
> passes the test.
>
> Other tests like thos in the 'pw_metal' directory begin to fail when
> using more than 16 cores.
>
> [ ]'s
>
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Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-20 Thread Fabricio Cannini 
Em 10-09-2016 04:17, Paolo Giannozzi escreveu:
> Tests are typically small. When run on many processors, they may give
> some funny errors. It was nothing to worry about, but I fixed it anyway
> in the development version. Thank you for reporting these errors
>
> Paolo

Hi Paolo, Filippo

The tests went fine, thank you very much!


However, I'm no longer able to compile Phonon with the version you sent 
me, which is a dependency for EPW.


add_dkmds.f90(24): error #6580: Name in only-list does not exist.   [IGK]
   USE wvfct, ONLY : npwx, npw, nbnd, igk
-^
add_dkmds.f90(106): error #6404: This name does not have a type, and 
must have an explicit type.   [IGK]
 ( xk(ipol,kpoint) + g(ipol,igk(ig)) )
---^
compilation aborted for add_dkmds.f90 (code 1)


If I understand it right, there have been changes in the trunk wvfct 
module API that makes it incompatible with the 5.4.0 wvfct module API.

So, is it possible to have a patch with only the fixes, or even better, 
a 5.4.1 release?


TIA,
Fabricio
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-20 Thread Fabricio Cannini 
Em 21-09-2016 02:20, Fabricio Cannini escreveu:
> Em 10-09-2016 04:17, Paolo Giannozzi escreveu:
>> Tests are typically small. When run on many processors, they may give
>> some funny errors. It was nothing to worry about, but I fixed it anyway
>> in the development version. Thank you for reporting these errors
>>
>> Paolo

> If I understand it right, there have been changes in the trunk wvfct
> module API that makes it incompatible with the 5.4.0 wvfct module API.

Correction:

Changes to the mentioned module API expected by Phonon and EPW.
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-20 Thread Paolo Giannozzi 
On Wed, Sep 21, 2016 at 7:20 AM, Fabricio Cannini 
wrote:

>
> However, I'm no longer able to compile Phonon with the version you sent
> me, which is a dependency for EPW.
>

which version are you referring to? I do not remember sending anything

So, is it possible to have a patch with only the fixes, or even better, a
> 5.4.1 release?
>

short answer: no, it is too much work and the new version of everything
will be out in a few days

Paolo

>
>
> TIA,
> Fabricio
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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Re: [Pw_forum] errors testing espresso 5.4.0

2016-09-20 Thread Fabricio Cannini 
Em 21-09-2016 02:39, Paolo Giannozzi escreveu:
>
> On Wed, Sep 21, 2016 at 7:20 AM, Fabricio Cannini  > wrote:
>
>
> However, I'm no longer able to compile Phonon with the version you
> sent me, which is a dependency for EPW.
>
>
> which version are you referring to? I do not remember sending anything

Sorry, it was Filippo who sent the link.
http://qe-forge.org/snapshots/espresso-r12924-2016-09-07.tar.gz

> So, is it possible to have a patch with only the fixes, or even
> better, a 5.4.1 release?
>
>
> short answer: no, it is too much work and the new version of everything
> will be out in a few days

Ok, I'll wait for the 6.0 announcement.


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