Re: [QE-users] D3Q code stopped due to davcio error
Dear Lorenzo, The qq2rr code is serial right? After running in /scratch (for memory issue) it shows Bus error! /var/spool/slurm/slurmd.spool/job3829394/slurm_script: line 38: 179584 Done ls anh* 179585 Bus error | /gpfs/home/kghosh/kanka/qe-6.5/bin/d3_qq2rr.x 1 1 1 Job finished Any specific reason for this error? Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 From: "Lorenzo Paulatto" To: "users" Sent: Friday, December 4, 2020 1:12:09 PM Subject: Re: [QE-users] D3Q code stopped due to davcio error Yes it took little more than 5 days to compute only the first q-point. anyway it seems that I should use 1x1x1 grid instead of 2x2x2. But are you suggesting to do the single mode calculation with 1x1x1 grid or the "mode=full" using the 1x1x1 grid? Yes, but no need to do it: you have done it already. You can just call d3_qq2rr and specify "1 1 1" as the grid size: ls anh*| d3_qq2rr.x 1 1 1 and it will automatically compute the force constants from the calculation at (0,0,0). This way you can immediately test how it works. If you want to try the 2x2x2 grid, I would use 10 pools and maybe try with *fewer* CPUs per pool: at the moment you are using 128 which requires a lot of communications. If the calculation fits in RAM, I would recommend keeping each pool on a single computing node. You may try to use some local scratch in order to avoid running out of disk space (ask the cluster managers what to use). Finally, if you manage to get everything running, you can run al the q-points triplet simultaneously as different batch jobs by setting "first" and "last". You can have the same outdir and prefix, as long as they work on different triplets, they will not interfere (this is true for d3q, but not in general for other linear response codes) hth BQ_BEGIN Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 From: "Lorenzo Paulatto" [ mailto:paul...@gmail.com | ] To: "users" [ mailto:users@lists.quantum-espresso.org | ] Sent: Friday, December 4, 2020 9:09:50 AM Subject: Re: [QE-users] D3Q code stopped due to davcio error BQ_BEGIN Thanks for pointing out the storage issue. Yes, I am running it at the French computing centre (University of Bordeaux's cluster system (curta, mcia)). Here I am attaching the d3q output file. Indeed, it was in the process of computing the second q-point triplet. BQ_END I do not have access to Bordeaux cluster, but I could ask it if you need that I look at the code. That said, I see that to compute the first q-point it took about 5 days, it will take at least a month to do the second point ! Because it has less symmetry the code needs to compute 2x more k-points and 3x more perturbations. BQ_BEGIN "Maybe for such a large system you can get some decent force-constants already from (0,0,0) alone" In that case, you mean to implement the "mode=gamma-only" tag? BQ_END Not really, the triple (0,0,0) is in itself the 1x1x1 grid, and you can threat it as such. Thanks to some Fourier interpolation trickery, you can use it to get the D3 matrices at any point. Also, the d3_qq2rr code is not particularly optimized, and is not parallelized I'm not sure you would manage to compute the Fourier transform of the 2x2x2 grid anyway. You have to keep in mind that the 3-body force constant become huge very quickly with the number of atoms and the size of the grid: each D3 matrix has (3*nat)^3 complex elements, and a grid n x n x n contains n^6 power triplets In your case, the 2x2x2 grid would use about 2.2GB of RAM, which is probably still feasible, but i would try the 1x1x1 first. cheers BQ_BEGIN Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 From: "Lorenzo Paulatto" [ mailto:paul...@gmail.com | ] _ To: "users" [ mailto:users@lists.quantum-espresso.org | ] Sent: Thursday, December 3, 2020 11:23:58 PM Subject: Re: [QE-users] D3Q code stopped due to davcio error task # 71 BQ_BEGIN from davcio : error # 5011 error while writing from file ".//D3_Q1.0_0_0_Q2.0_0_-1o2_Q3.0_0_1o2/scf.d1.dq1pq1.72" BQ_END I guess it may have run out of space, d3q uses a ton of disk space and there is not easy way to avoid this. If you are running on any of the French computing centers I can try to have a look directly. I do not think the change in number of CPUs could cause this problem, but if you provide the full output I can check. Also, 44 at
Re: [QE-users] D3Q code stopped due to davcio error
Dear Lorenzo, Yes it took little more than 5 days to compute only the first q-point. anyway it seems that I should use 1x1x1 grid instead of 2x2x2. But are you suggesting to do the single mode calculation with 1x1x1 grid or the "mode=full" using the 1x1x1 grid? Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 From: "Lorenzo Paulatto" To: "users" Sent: Friday, December 4, 2020 9:09:50 AM Subject: Re: [QE-users] D3Q code stopped due to davcio error Thanks for pointing out the storage issue. Yes, I am running it at the French computing centre (University of Bordeaux's cluster system (curta, mcia)). Here I am attaching the d3q output file. Indeed, it was in the process of computing the second q-point triplet. I do not have access to Bordeaux cluster, but I could ask it if you need that I look at the code. That said, I see that to compute the first q-point it took about 5 days, it will take at least a month to do the second point ! Because it has less symmetry the code needs to compute 2x more k-points and 3x more perturbations. BQ_BEGIN "Maybe for such a large system you can get some decent force-constants already from (0,0,0) alone" In that case, you mean to implement the "mode=gamma-only" tag? BQ_END Not really, the triple (0,0,0) is in itself the 1x1x1 grid, and you can threat it as such. Thanks to some Fourier interpolation trickery, you can use it to get the D3 matrices at any point. Also, the d3_qq2rr code is not particularly optimized, and is not parallelized I'm not sure you would manage to compute the Fourier transform of the 2x2x2 grid anyway. You have to keep in mind that the 3-body force constant become huge very quickly with the number of atoms and the size of the grid: each D3 matrix has (3*nat)^3 complex elements, and a grid n x n x n contains n^6 power triplets In your case, the 2x2x2 grid would use about 2.2GB of RAM, which is probably still feasible, but i would try the 1x1x1 first. cheers BQ_BEGIN Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 From: "Lorenzo Paulatto" [ mailto:paul...@gmail.com | ] _ To: "users" [ mailto:users@lists.quantum-espresso.org | ] Sent: Thursday, December 3, 2020 11:23:58 PM Subject: Re: [QE-users] D3Q code stopped due to davcio error task # 71 BQ_BEGIN from davcio : error # 5011 error while writing from file ".//D3_Q1.0_0_0_Q2.0_0_-1o2_Q3.0_0_1o2/scf.d1.dq1pq1.72" BQ_END I guess it may have run out of space, d3q uses a ton of disk space and there is not easy way to avoid this. If you are running on any of the French computing centers I can try to have a look directly. I do not think the change in number of CPUs could cause this problem, but if you provide the full output I can check. Also, 44 atoms is a lot for the d3q code, it seems like you're running the second q-point triplet, which is of kind (0,q,-q), it takes much more time and disk space than the triplet (0,0,0). Maybe for such a large system you can get some decent force-constants already from (0,0,0) alone cheers BQ_BEGIN Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 ___ Quantum ESPRESSO is supported by MaX ( [ http://www.max-centre.eu/ | www.max-centre.eu ] ) users mailing list [ mailto:users@lists.quantum-espresso.org | users@lists.quantum-espresso.org ] [ https://lists.quantum-espresso.org/mailman/listinfo/users | https://lists.quantum-espresso.org/mailman/listinfo/users ] BQ_END ___ Quantum ESPRESSO is supported by MaX ( [ http://www.max-centre.eu/ | www.max-centre.eu ] ) users mailing list [ mailto:users@lists.quantum-espresso.org | users@lists.quantum-espresso.org ] [ https://lists.quantum-espresso.org/mailman/listinfo/users | https://lists.quantum-espresso.org/mailman/listinfo/users ] ___ Quantum ESPRESSO is supported by MaX ( [ http://www.max-centre.eu/ | www.max-centre.eu ] ) users mailing list [ mailto:users@lists.quantum-espresso.org | users@lists.quantum-espresso.org ] [ https://lists.quantum-espresso.org/mailman/listinfo/users | https://lists.quantum-espresso.org/mailman/listinfo/users ] BQ_END ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users ___
Re: [QE-users] D3Q code stopped due to davcio error
Dear Lorenzo, Thanks for pointing out the storage issue. Yes, I am running it at the French computing centre (University of Bordeaux's cluster system (curta, mcia)). Here I am attaching the d3q output file. Indeed, it was in the process of computing the second q-point triplet. "Maybe for such a large system you can get some decent force-constants already from (0,0,0) alone" In that case, you mean to implement the "mode=gamma-only" tag? Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 From: "Lorenzo Paulatto" _ To: "users" Sent: Thursday, December 3, 2020 11:23:58 PM Subject: Re: [QE-users] D3Q code stopped due to davcio error task # 71 from davcio : error # 5011 error while writing from file ".//D3_Q1.0_0_0_Q2.0_0_-1o2_Q3.0_0_1o2/scf.d1.dq1pq1.72" I guess it may have run out of space, d3q uses a ton of disk space and there is not easy way to avoid this. If you are running on any of the French computing centers I can try to have a look directly. I do not think the change in number of CPUs could cause this problem, but if you provide the full output I can check. Also, 44 atoms is a lot for the d3q code, it seems like you're running the second q-point triplet, which is of kind (0,q,-q), it takes much more time and disk space than the triplet (0,0,0). Maybe for such a large system you can get some decent force-constants already from (0,0,0) alone cheers BQ_BEGIN Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 ___ Quantum ESPRESSO is supported by MaX ( [ http://www.max-centre.eu/ | www.max-centre.eu ] ) users mailing list [ mailto:users@lists.quantum-espresso.org | users@lists.quantum-espresso.org ] [ https://lists.quantum-espresso.org/mailman/listinfo/users | https://lists.quantum-espresso.org/mailman/listinfo/users ] BQ_END ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users gst326_M1_d3q_2nd_run.out Description: Binary data ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
[QE-users] D3Q code stopped due to davcio error
Dear QE users, I am computing D3Q calculations using a system of 44 atoms and the D3Q code looks like this: D3 mode='full' prefix = 'scf.d1', fildrho = 'drho', fildrho_dir = 'FILDRHO' fild3dyn = 'FILD3DYN/anh', ethr_ph = 1.d-9 offset=0 step= 1 restart=.true. / 2 2 2 After running for several days, suddenly it stopped with the following error: %% task # 71 from davcio : error # 5011 error while writing from file ".//D3_Q1.0_0_0_Q2.0_0_-1o2_Q3.0_0_1o2/scf.d1.dq1pq1.72" %% I am using QE 6.5. The D3Q ( d3q-1.1.7 ) ran smoothly up to some point. Is it happening due to some memory issue? Of course, I am running D3Q code with more processors (np 512, nk 2) than that of the pw.x calculation (np 32, nk 2). But it is written in the D3Q manual of version d3q-1.1.7 that " It is not strictly necessary to run d3q.x with the same number of CPUs or pools than pw.x, however, this is the most commonly tested case and there is a small chance that some unexpected bug may appear if you do otherwise ". Also, if the number of processors is the issue, then shouldn't it be stopped immediately? Any suggestions to solve this issue? Thanks in advance for your help, Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] Does d3q work with recover/restart mode?
Thanks Lorenzo! Meaning I can just use the keyword restart=.true. in d3q input for resuming the calculation ? Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 - Original Message - From: "Lorenzo Paulatto" To: "users" Sent: Sunday, September 20, 2020 10:55:44 AM Subject: Re: [QE-users] Does d3q work with recover/restart mode? > I am using d3q code, embedded in QE for anharmonic phonon scattering > calculations with a 44 atom system. My university server has a > limitation for runtime to maximum 5 days if I use around 128 processors > for the run. the phonon calculations suggest that d3q will take a long > time. Therefore, is there any keyword in d3q input which can restart my > run after it gets stopped after a certain time? Like recover=.true. options? Dear Kanka, this is what I wrote in the d3q manual several years ago: -- When restart is true, the code will check existing fild3dyn files and skip the calculation of any triplet that has already been computed. This option can also be used to refine a grid calculation, e.g. if you have already computed a 2x2x2 grid and want to compute a 4x4x4 one, simply restart with the finer grid and the same input parameters, and the triplets from the coarser grid will be skipped automatically. Restart of partially-computed q-points is currently implemented but disabled because 1) it is still unreliable 2) it requires that all input/output is safely written to disk, which makes the calculation much slower. You can activate it modifying the code at your own risk! -- On top of that, I'll add that I've never had the need to use the partial q-point restart. In your case, you probably only need the Gamma-Gamma-Gamma calculation, which is just marginally slower than a phonon Gamma calculation. cheers > > Can anybody help to overcome this issue ? > Thanks in advanced, > > > Regards, > Kanka > > > Kanka Ghosh > Postdoctoral Researcher > I2M-Bordeaux > University of Bordeaux, CNRS UMR 5295 > Site: Ecole Nationale Supérieure des Arts et Métiers > Bordeaux-Talence 33400 > > ___ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Lorenzo Paulatto - Paris ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
[QE-users] Does d3q work with recover/restart mode?
Dear QE users, I am using d3q code, embedded in QE for anharmonic phonon scattering calculations with a 44 atom system. My university server has a limitation for runtime to maximum 5 days if I use around 128 processors for the run. the phonon calculations suggest that d3q will take a long time. Therefore, is there any keyword in d3q input which can restart my run after it gets stopped after a certain time? Like recover=.true. options? Can anybody help to overcome this issue ? Thanks in advanced, Regards, Kanka Kanka Ghosh Postdoctoral Researcher I2M-Bordeaux University of Bordeaux, CNRS UMR 5295 Site: Ecole Nationale Supérieure des Arts et Métiers Bordeaux-Talence 33400 ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] Quantum espresso installation problem in MAC
Dear Paolo,
It's still showing the error in compiling !
In file included from stack.c:9 :
/usr/local/lib/gcc/x86_64-apple-darwin18.5.0/8.3.0/include-fixed/stdio.h:78:10:
fatal error: _stdio.h: No such file or directory
#include <_stdio.h>
^~
compilation terminated.
make[1]: *** [stack.o] Error 1
make: *** [libs] Error 1
Regards,
Kanka
Postdoc, I2M-bordeaux
University of Bordeaux, CNRS UMR 5295
De: "Paolo Giannozzi"
À: "users"
Envoyé: Mardi 26 Novembre 2019 17:37:21
Objet: Re: [QE-users] Quantum espresso installation problem in MAC
Just modify clib/stack.c in such a way that it does nothing, e.g.,
void remove_stack_limit_(void) {;}
It's used only by the Intel compiler actually
Paolo
On Tue, Nov 26, 2019 at 11:45 AM Kanka Ghosh < [
mailto:kanka.gh...@u-bordeaux.fr | kanka.gh...@u-bordeaux.fr ] > wrote:
Hello,
I am trying to install quantum espresso in iMac (macOS Mojave, version
10.14.6). While it configured properly, I am facing some issues while compiling
with make all or make pw or any make command. It is showing the following error
after executing make all command :
make all
test -d bin || mkdir bin
( cd clib ; /Library/Developer/CommandLineTools/usr/bin/make TLDEPS= all ||
exit 1 )
gcc -O3 -D__FFTW3 -D__MPI -I/Users/kghosh/Downloads/qe-6.4.1//include
-I/Users/kghosh/Downloads/qe-6.4.1//FoX/finclude
-I/Users/kghosh/Downloads/qe-6.4.1//S3DE/iotk/include/ -c customize_signals.c
gcc -O3 -D__FFTW3 -D__MPI -I/Users/kghosh/Downloads/qe-6.4.1//include
-I/Users/kghosh/Downloads/qe-6.4.1//FoX/finclude
-I/Users/kghosh/Downloads/qe-6.4.1//S3DE/iotk/include/ -c stack.c
In file included from stack.c:9 :
/usr/local/lib/gcc/x86_64-apple-darwin18.5.0/8.3.0/include-fixed/stdio.h:78:10:
fatal error: _stdio.h: No such file or directory
#include <_stdio.h>
^~
compilation terminated.
make[1]: *** [stack.o] Error 1
make: *** [libs] Error 1
Can anybody help to overcome this issue ? I have installed all gcc compilers as
well as the libraries using brew in the machine.
Thanks in advanced,
Kanka
Postdoc, I2M-bordeaux
University of Bordeaux, CNRS UMR 5295
___
Quantum ESPRESSO is supported by MaX ( [
http://www.max-centre.eu/quantum-espresso | www.max-centre.eu/quantum-espresso
] )
users mailing list [ mailto:users@lists.quantum-espresso.org |
users@lists.quantum-espresso.org ]
[ https://lists.quantum-espresso.org/mailman/listinfo/users |
https://lists.quantum-espresso.org/mailman/listinfo/users ]
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] Quantum espresso installation problem in MAC
Hi Will, This is the MAC.inc file. PFA Regards, Kanka De: "Will DeBenedetti" À: "users" Envoyé: Mardi 26 Novembre 2019 17:31:31 Objet: Re: [QE-users] Quantum espresso installation problem in MAC Hi Kanka, I have had the best luck compiling and linking libraries using the Intel Fortran compilers and MKL libraries on Macs. I never succeeded with GCC. Can you please send your MAKE.inc file? Thanks, Will DeBenedetti Cornell University On Tue, Nov 26, 2019 at 5:45 AM Kanka Ghosh < [ mailto:kanka.gh...@u-bordeaux.fr | kanka.gh...@u-bordeaux.fr ] > wrote: Hello, I am trying to install quantum espresso in iMac (macOS Mojave, version 10.14.6). While it configured properly, I am facing some issues while compiling with make all or make pw or any make command. It is showing the following error after executing make all command : make all test -d bin || mkdir bin ( cd clib ; /Library/Developer/CommandLineTools/usr/bin/make TLDEPS= all || exit 1 ) gcc -O3 -D__FFTW3 -D__MPI -I/Users/kghosh/Downloads/qe-6.4.1//include -I/Users/kghosh/Downloads/qe-6.4.1//FoX/finclude -I/Users/kghosh/Downloads/qe-6.4.1//S3DE/iotk/include/ -c customize_signals.c gcc -O3 -D__FFTW3 -D__MPI -I/Users/kghosh/Downloads/qe-6.4.1//include -I/Users/kghosh/Downloads/qe-6.4.1//FoX/finclude -I/Users/kghosh/Downloads/qe-6.4.1//S3DE/iotk/include/ -c stack.c In file included from stack.c:9 : /usr/local/lib/gcc/x86_64-apple-darwin18.5.0/8.3.0/include-fixed/stdio.h:78:10: fatal error: _stdio.h: No such file or directory #include <_stdio.h> ^~ compilation terminated. make[1]: *** [stack.o] Error 1 make: *** [libs] Error 1 Can anybody help to overcome this issue ? I have installed all gcc compilers as well as the libraries using brew in the machine. Thanks in advanced, Kanka Postdoc, I2M-bordeaux University of Bordeaux, CNRS UMR 5295 ___ Quantum ESPRESSO is supported by MaX ( [ http://www.max-centre.eu/quantum-espresso | www.max-centre.eu/quantum-espresso ] ) users mailing list [ mailto:users@lists.quantum-espresso.org | users@lists.quantum-espresso.org ] [ https://lists.quantum-espresso.org/mailman/listinfo/users | https://lists.quantum-espresso.org/mailman/listinfo/users ] ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users make.inc Description: Binary data ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
[QE-users] Quantum espresso installation problem in MAC
Hello, I am trying to install quantum espresso in iMac (macOS Mojave, version 10.14.6). While it configured properly, I am facing some issues while compiling with make all or make pw or any make command. It is showing the following error after executing make all command : make all test -d bin || mkdir bin ( cd clib ; /Library/Developer/CommandLineTools/usr/bin/make TLDEPS= all || exit 1 ) gcc -O3 -D__FFTW3 -D__MPI -I/Users/kghosh/Downloads/qe-6.4.1//include -I/Users/kghosh/Downloads/qe-6.4.1//FoX/finclude -I/Users/kghosh/Downloads/qe-6.4.1//S3DE/iotk/include/ -c customize_signals.c gcc -O3 -D__FFTW3 -D__MPI -I/Users/kghosh/Downloads/qe-6.4.1//include -I/Users/kghosh/Downloads/qe-6.4.1//FoX/finclude -I/Users/kghosh/Downloads/qe-6.4.1//S3DE/iotk/include/ -c stack.c In file included from stack.c:9 : /usr/local/lib/gcc/x86_64-apple-darwin18.5.0/8.3.0/include-fixed/stdio.h:78:10: fatal error: _stdio.h: No such file or directory #include <_stdio.h> ^~ compilation terminated. make[1]: *** [stack.o] Error 1 make: *** [libs] Error 1 Can anybody help to overcome this issue ? I have installed all gcc compilers as well as the libraries using brew in the machine. Thanks in advanced, Kanka Postdoc, I2M-bordeaux University of Bordeaux, CNRS UMR 5295 ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
