Task 38671716

Name test_189-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5899_0
Workunit 31613905
Created 25 Oct 2026, 21:21:21 UTC
Sent 25 Oct 2026, 21:21:23 UTC
Report deadline 30 Oct 2026, 21:21:23 UTC
Received 25 Oct 2026, 22:39:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 30 sec
CPU time 19 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.67 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:20:27 (15920): wrapper (7.9.26016): starting
18:20:27 (15920): 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
18:20:28 (15920): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:20:28 (15920): 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 'C:\ProgramData\BOINC\slots\0\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 'C:\ProgramData\BOINC\slots\0\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
18:39:17 (15920): C:/Windows/system32/cmd.exe exited; CPU time 1142.703125
18:39:17 (15920): 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: 15920643 bytes.
Dumping objects ->
{3835562} normal block at 0x000001F45B7CB640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x000001F45B7CB8E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000001F45B7CAB50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x000001F45B7CB870, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x000001F45B7CBA30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x000001F45B7C9DC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000001F45D49ED50, 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) : {3835473} normal block at 0x000001F45B79F420, 8 bytes long.
 Data: <  u[&#244;   > 00 00 75 5B F4 01 00 00 
{3834695} normal block at 0x000001F45D49E300, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001F45B79F650, 8 bytes long.
 Data: <&#208;HN]&#244;   > D0 48 4E 5D F4 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F45B7A1260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F45B7961A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001F45B7A5BC0, 16 bytes long.
 Data: <&#168;Wz[&#244;           > A8 57 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F45B7A6610, 16 bytes long.
 Data: < Wz[&#244;           > 80 57 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F45B79FAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001F45B7A65C0, 16 bytes long.
 Data: <XWz[&#244;           > 58 57 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F45B7A6340, 16 bytes long.
 Data: <0Wz[&#244;           > 30 57 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F45B7A6480, 16 bytes long.
 Data: < Wz[&#244;           > 08 57 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F45B7A6070, 16 bytes long.
 Data: <&#224;Vz[&#244;           > E0 56 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F45B7A3E30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001F45B7A6570, 16 bytes long.
 Data: <&#232;&#182;x[&#244;           > E8 B6 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F45B7A00B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001F45B7A6430, 16 bytes long.
 Data: <&#192;&#182;x[&#244;           > C0 B6 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F45B7A5B70, 16 bytes long.
 Data: < &#182;x[&#244;           > 98 B6 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F45B7A6520, 16 bytes long.
 Data: <p&#182;x[&#244;           > 70 B6 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F45B7A5F30, 16 bytes long.
 Data: <H&#182;x[&#244;           > 48 B6 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F45B7A5AD0, 16 bytes long.
 Data: < &#182;x[&#244;           > 20 B6 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F45B7A5E90, 16 bytes long.
 Data: <&#248;&#181;x[&#244;           > F8 B5 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F45B7A0410, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001F45B7A6020, 16 bytes long.
 Data: <&#208;&#181;x[&#244;           > D0 B5 78 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F45B78B5D0, 320 bytes long.
 Data: < `z[&#244;     z[&#244;   > 20 60 7A 5B F4 01 00 00 10 04 7A 5B F4 01 00 00 
{279} normal block at 0x000001F45B7A67A0, 16 bytes long.
 Data: <&#192;Vz[&#244;           > C0 56 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F45B7A62F0, 16 bytes long.
 Data: < Vz[&#244;           > 98 56 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F45B7A0770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001F45B7A62A0, 16 bytes long.
 Data: <pVz[&#244;           > 70 56 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F45B7A06B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001F45B7A5C60, 16 bytes long.
 Data: <&#184;Uz[&#244;           > B8 55 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F45B7A6200, 16 bytes long.
 Data: < Uz[&#244;           > 90 55 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F45B7A63E0, 16 bytes long.
 Data: <hUz[&#244;           > 68 55 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F45B7A6160, 16 bytes long.
 Data: <@Uz[&#244;           > 40 55 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F45B7A5A80, 16 bytes long.
 Data: < Uz[&#244;           > 18 55 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F45B79ECF0, 16 bytes long.
 Data: <&#240;Tz[&#244;           > F0 54 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F45B79E9D0, 16 bytes long.
 Data: <&#192;=z[&#244;           > C0 3D 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F45B7A3DC0, 40 bytes long.
 Data: <&#208;&#233;y[&#244;   &#192; |[&#244;   > D0 E9 79 5B F4 01 00 00 C0 9D 7C 5B F4 01 00 00 
{265} normal block at 0x000001F45B79F880, 16 bytes long.
 Data: <&#208;Tz[&#244;           > D0 54 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F45B79EC50, 16 bytes long.
 Data: <&#168;Tz[&#244;           > A8 54 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F45B7A05F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001F45B79F470, 16 bytes long.
 Data: < Tz[&#244;           > 80 54 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F45B7A5480, 992 bytes long.
 Data: <p&#244;y[&#244;   &#240; z[&#244;   > 70 F4 79 5B F4 01 00 00 F0 05 7A 5B F4 01 00 00 
{97} normal block at 0x000001F45B79FC90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001F45B79F3D0, 16 bytes long.
 Data: <P=z[&#244;           > 50 3D 7A 5B F4 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001F45B7A3D50, 40 bytes long.
 Data: <&#208;&#243;y[&#244;    &#252;y[&#244;   > D0 F3 79 5B F4 01 00 00 90 FC 79 5B F4 01 00 00 
{74} normal block at 0x000001F45B79F5B0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F45B79F1A0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F45B79F1F0, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F45B79F380, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F45B79F150, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F45B79EA70, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F45B79F600, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F45B79EA20, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F45B79F060, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F45B79F010, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra