Task 38651481

Name test_288-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND8924_1
Workunit 31593186
Created 24 Oct 2026, 1:48:00 UTC
Sent 24 Oct 2026, 5:07:01 UTC
Report deadline 29 Oct 2026, 5:07:01 UTC
Received 24 Oct 2026, 12:31:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653921
Run time 1 hours 10 min 26 sec
CPU time 1 hours 10 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,101.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.10 MB
Peak swap size 6.82 GB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:13:27 (29164): wrapper (7.9.26016): starting
11:13:27 (29164): 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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835089} normal block at 0x000002632D6F78E0, 8 bytes long.
 Data: <  h-c   > 00 00 68 2D 63 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833948} normal block at 0x000002632F1EB7D0, 1080 bytes long.
 Data: <                > 88 90 00 00 CD CD CD CD A8 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002632D6DC000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
13:40:47 (30052): wrapper (7.9.26016): starting
13:40:47 (30052): 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
13:40:50 (30052): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:40:50 (30052): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1439} normal block at 0x00000230E6467E70, 8 bytes long.
 Data: <    0   > 00 00 E2 E7 30 02 00 00 
..\lib\diagnostics_win.cpp(417) : {298} normal block at 0x00000230E64685C0, 1080 bytes long.
 Data: <                > A8 85 00 00 CD CD CD CD 94 00 00 00 00 00 00 00 
Object dump complete.
14:40:06 (38888): wrapper (7.9.26016): starting
14:40:06 (38888): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\0\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
  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
17:30:24 (38888): C:/Windows/system32/cmd.exe exited; CPU time 4226.562500
17:30:24 (38888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 216481540 bytes.
Dumping objects ->
{1528} normal block at 0x0000017843151820, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1517} normal block at 0x00000178431517B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1506} normal block at 0x0000017843151E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1495} normal block at 0x0000017843151B30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1484} normal block at 0x0000017843151D60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1453} normal block at 0x0000017843134B10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1440} normal block at 0x0000017843157E80, 8 bytes long.
 Data: <   Cx   > 00 00 11 43 78 01 00 00 
{300} normal block at 0x0000017843157020, 8 bytes long.
 Data: < b Cx   > 20 62 15 43 78 01 00 00 
{291} normal block at 0x0000017843156B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000017843157E30, 16 bytes long.
 Data: < n Cx           > D8 6E 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017843157930, 16 bytes long.
 Data: < n Cx           > B0 6E 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017843149F00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000017843157610, 16 bytes long.
 Data: < n Cx           > 88 6E 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017843153940, 16 bytes long.
 Data: <`n Cx           > 60 6E 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000178431539E0, 16 bytes long.
 Data: <8n Cx           > 38 6E 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000178431533F0, 16 bytes long.
 Data: < n Cx           > 10 6E 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017843151C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000017843153300, 16 bytes long.
 Data: < j Cx           > 98 6A 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017843149900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000017843153E90, 16 bytes long.
 Data: <pj Cx           > 70 6A 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000178431538A0, 16 bytes long.
 Data: <Hj Cx           > 48 6A 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017843153260, 16 bytes long.
 Data: < j Cx           > 20 6A 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000178431537B0, 16 bytes long.
 Data: < i Cx           > F8 69 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017843153530, 16 bytes long.
 Data: < i Cx           > D0 69 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000178431531C0, 16 bytes long.
 Data: < i Cx           > A8 69 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017843149D20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000017843152FE0, 16 bytes long.
 Data: < i Cx           > 80 69 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017843156980, 320 bytes long.
 Data: < / Cx      Cx   > E0 2F 15 43 78 01 00 00 20 9D 14 43 78 01 00 00 
{270} normal block at 0x0000017843153E40, 16 bytes long.
 Data: < m Cx           > F0 6D 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017843153760, 16 bytes long.
 Data: < m Cx           > C8 6D 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017843149C60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000178431535D0, 16 bytes long.
 Data: < m Cx           > A0 6D 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001784314A620, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000017843153490, 16 bytes long.
 Data: < l Cx           > E8 6C 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017843153440, 16 bytes long.
 Data: < l Cx           > C0 6C 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000178431532B0, 16 bytes long.
 Data: < l Cx           > 98 6C 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000178431538F0, 16 bytes long.
 Data: <pl Cx           > 70 6C 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017843153210, 16 bytes long.
 Data: <Hl Cx           > 48 6C 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000178431536C0, 16 bytes long.
 Data: < l Cx           > 20 6C 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017843153670, 16 bytes long.
 Data: <   Cx           > C0 1A 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017843151AC0, 40 bytes long.
 Data: <p6 Cx    K Cx   > 70 36 15 43 78 01 00 00 10 4B 13 43 78 01 00 00 
{256} normal block at 0x0000017843153EE0, 16 bytes long.
 Data: < l Cx           > 00 6C 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017843152F90, 16 bytes long.
 Data: < k Cx           > D8 6B 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000178431497E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000017843153030, 16 bytes long.
 Data: < k Cx           > B0 6B 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017843156BB0, 992 bytes long.
 Data: <00 Cx      Cx   > 30 30 15 43 78 01 00 00 E0 97 14 43 78 01 00 00 
{88} normal block at 0x000001784314A560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000017843153A30, 16 bytes long.
 Data: <   Cx           > A0 1B 15 43 78 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000017843151BA0, 40 bytes long.
 Data: <0: Cx   `  Cx   > 30 3A 15 43 78 01 00 00 60 A5 14 43 78 01 00 00 
{65} normal block at 0x0000017843153C10, 16 bytes long.
 Data: <                > 80 EA D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017843153350, 16 bytes long.
 Data: <@               > 40 E9 D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017843153B20, 16 bytes long.
 Data: < W              > F8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017843153AD0, 16 bytes long.
 Data: < W              > D8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000178431479E0, 16 bytes long.
 Data: <P               > 50 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017843147E90, 16 bytes long.
 Data: <0               > 30 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017843147990, 16 bytes long.
 Data: <                > E0 02 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017843147E40, 16 bytes long.
 Data: <                > 10 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017843147940, 16 bytes long.
 Data: <p               > 70 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017843147DA0, 16 bytes long.
 Data: <                > 18 C0 CE A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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