Task 38685868

Name test_524-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3977_0
Workunit 31627322
Created 27 Oct 2026, 23:20:53 UTC
Sent 27 Oct 2026, 23:20:57 UTC
Report deadline 1 Nov 2026, 23:20:57 UTC
Received 28 Oct 2026, 1:08:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 45 sec
CPU time 51 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 878.29 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:15:38 (7880): wrapper (7.9.26016): starting
01:15:38 (7880): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
01:15:40 (7880): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:15:40 (7880): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\8\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\ProgramData\BOINC\slots\8\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
02:08:12 (7880): C:/Windows/system32/cmd.exe exited; CPU time 3108.218750
02:08:12 (7880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 46468087 bytes.
Dumping objects ->
{3835551} normal block at 0x000001313C5DB030, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000001313C5B5820, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x000001313C5B57B0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x000001313C5B5740, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x000001313C5B59E0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x000001313E22BD10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000001313E240240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835462} normal block at 0x000001313C5AFC50, 8 bytes long.
 Data: <  &#156;<1   > 00 00 9C 3C 31 01 00 00 
{3834687} normal block at 0x000001313E23FB60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001313C5AFDE0, 8 bytes long.
 Data: <0H+>1   > 30 48 2B 3E 31 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001313C5B15E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001313C5A6E10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001313C5B6780, 16 bytes long.
 Data: <&#200;t[<1           > C8 74 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001313C5B7130, 16 bytes long.
 Data: <&#160;t[<1           > A0 74 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001313C5B01F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001313C5B63C0, 16 bytes long.
 Data: <xt[<1           > 78 74 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001313C5B6410, 16 bytes long.
 Data: <Pt[<1           > 50 74 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001313C5B6F00, 16 bytes long.
 Data: <(t[<1           > 28 74 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001313C5B64B0, 16 bytes long.
 Data: < t[<1           > 00 74 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001313C5B55F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001313C5B66E0, 16 bytes long.
 Data: <&#200;^[<1           > C8 5E 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001313C5B0EB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001313C5B6690, 16 bytes long.
 Data: <&#160;^[<1           > A0 5E 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001313C5B6CD0, 16 bytes long.
 Data: <x^[<1           > 78 5E 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001313C5B62D0, 16 bytes long.
 Data: <P^[<1           > 50 5E 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001313C5B6E60, 16 bytes long.
 Data: <(^[<1           > 28 5E 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001313C5B6370, 16 bytes long.
 Data: < ^[<1           > 00 5E 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001313C5B7040, 16 bytes long.
 Data: <&#216;][<1           > D8 5D 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001313C5B0E50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001313C5B6C30, 16 bytes long.
 Data: <&#176;][<1           > B0 5D 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001313C5B5DB0, 320 bytes long.
 Data: <0l[<1   P [<1   > 30 6C 5B 3C 31 01 00 00 50 0E 5B 3C 31 01 00 00 
{278} normal block at 0x000001313C5B65A0, 16 bytes long.
 Data: <&#224;s[<1           > E0 73 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001313C5B6BE0, 16 bytes long.
 Data: <&#184;s[<1           > B8 73 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001313C5B07F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001313C5B6640, 16 bytes long.
 Data: < s[<1           > 90 73 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001313C5B0130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001313C5B6230, 16 bytes long.
 Data: <&#216;r[<1           > D8 72 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001313C5B6B40, 16 bytes long.
 Data: <&#176;r[<1           > B0 72 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001313C5B65F0, 16 bytes long.
 Data: < r[<1           > 88 72 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001313C5B70E0, 16 bytes long.
 Data: <`r[<1           > 60 72 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001313C5B6280, 16 bytes long.
 Data: <8r[<1           > 38 72 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001313C5B6500, 16 bytes long.
 Data: < r[<1           > 10 72 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001313C5B6820, 16 bytes long.
 Data: <`V[<1           > 60 56 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001313C5B5660, 40 bytes long.
 Data: < h[<1    &#189;">1   > 20 68 5B 3C 31 01 00 00 10 BD 22 3E 31 01 00 00 
{264} normal block at 0x000001313C5B6FF0, 16 bytes long.
 Data: <&#240;q[<1           > F0 71 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001313C5B6320, 16 bytes long.
 Data: <&#200;q[<1           > C8 71 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001313C5B0970, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001313C5B6A00, 16 bytes long.
 Data: <&#160;q[<1           > A0 71 5B 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001313C5B71A0, 992 bytes long.
 Data: < j[<1   p	[<1   > 00 6A 5B 3C 31 01 00 00 70 09 5B 3C 31 01 00 00 
{96} normal block at 0x000001313C5B0430, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001313C5AF110, 16 bytes long.
 Data: <p&#193;Y<1           > 70 C1 59 3C 31 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001313C59C170, 40 bytes long.
 Data: < &#241;Z<1   0 [<1   > 10 F1 5A 3C 31 01 00 00 30 04 5B 3C 31 01 00 00 
{73} normal block at 0x000001313C5AF7A0, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001313C5AF610, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001313C5AFC00, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001313C5AFF20, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001313C5AFD90, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001313C5AF340, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001313C5AFE30, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001313C5AFFC0, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001313C5AF660, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001313C5AFBB0, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra