Task 38680785

Name test_519-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3095_0
Workunit 31622485
Created 27 Oct 2026, 1:28:54 UTC
Sent 27 Oct 2026, 1:29:00 UTC
Report deadline 1 Nov 2026, 1:29:00 UTC
Received 27 Oct 2026, 5:15:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 36 min 32 sec
CPU time 33 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.27 MB
Peak swap size 12.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:39:24 (30384): wrapper (7.9.26016): starting
00:39:24 (30384): 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
00:39:25 (30384): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:39:25 (30384): 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\11\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\11\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
01:14:37 (30384): C:/Windows/system32/cmd.exe exited; CPU time 2035.843750
01:14:37 (30384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 42012771 bytes.
Dumping objects ->
{3835559} normal block at 0x000001D15CACEAD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000001D15ADA6420, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x000001D15ADA63B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x000001D15ADA6340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x000001D15ADA66C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x000001D15CB1AE90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x000001D15AE0C180, 140 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) : {3835470} normal block at 0x000001D15AD9F0A0, 8 bytes long.
 Data: <  &#210;Z&#209;   > 00 00 D2 5A D1 01 00 00 
{3834709} normal block at 0x000001D15AE0BF10, 140 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 0x000001D15AD9E5B0, 8 bytes long.
 Data: <0&#134;&#183;\&#209;   > 30 86 B7 5C D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001D15ADA3390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D15AD970F0, 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 0x000001D15ADA7C20, 16 bytes long.
 Data: <(&#131;&#218;Z&#209;           > 28 83 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D15ADA7F90, 16 bytes long.
 Data: < &#131;&#218;Z&#209;           > 00 83 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D15ADA0DC0, 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 0x000001D15ADA7270, 16 bytes long.
 Data: <&#216;&#130;&#218;Z&#209;           > D8 82 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D15ADA7F40, 16 bytes long.
 Data: <&#176;&#130;&#218;Z&#209;           > B0 82 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D15ADA7AE0, 16 bytes long.
 Data: < &#130;&#218;Z&#209;           > 88 82 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D15ADA7900, 16 bytes long.
 Data: <`&#130;&#218;Z&#209;           > 60 82 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D15ADA6260, 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 0x000001D15ADA73B0, 16 bytes long.
 Data: <Xj&#218;Z&#209;           > 58 6A DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D15ADA1120, 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 0x000001D15ADA7540, 16 bytes long.
 Data: <0j&#218;Z&#209;           > 30 6A DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D15ADA7720, 16 bytes long.
 Data: < j&#218;Z&#209;           > 08 6A DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D15ADA7A90, 16 bytes long.
 Data: <&#224;i&#218;Z&#209;           > E0 69 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D15ADA7A40, 16 bytes long.
 Data: <&#184;i&#218;Z&#209;           > B8 69 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D15ADA79F0, 16 bytes long.
 Data: < i&#218;Z&#209;           > 90 69 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D15ADA7BD0, 16 bytes long.
 Data: <hi&#218;Z&#209;           > 68 69 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D15ADA0B20, 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 0x000001D15ADA7220, 16 bytes long.
 Data: <@i&#218;Z&#209;           > 40 69 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D15ADA6940, 320 bytes long.
 Data: < r&#218;Z&#209;     &#218;Z&#209;   > 20 72 DA 5A D1 01 00 00 20 0B DA 5A D1 01 00 00 
{278} normal block at 0x000001D15ADA7EF0, 16 bytes long.
 Data: <@&#130;&#218;Z&#209;           > 40 82 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D15ADA7DB0, 16 bytes long.
 Data: < &#130;&#218;Z&#209;           > 18 82 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D15ADA0F40, 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 0x000001D15ADA7EA0, 16 bytes long.
 Data: <&#240; &#218;Z&#209;           > F0 81 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D15ADA0AC0, 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 0x000001D15ADA76D0, 16 bytes long.
 Data: <8 &#218;Z&#209;           > 38 81 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D15ADA70E0, 16 bytes long.
 Data: <  &#218;Z&#209;           > 10 81 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D15ADA7D60, 16 bytes long.
 Data: <&#232; &#218;Z&#209;           > E8 80 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D15ADA7180, 16 bytes long.
 Data: <&#192; &#218;Z&#209;           > C0 80 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D15ADA7040, 16 bytes long.
 Data: <  &#218;Z&#209;           > 98 80 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D15ADA71D0, 16 bytes long.
 Data: <p &#218;Z&#209;           > 70 80 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D15ADA7860, 16 bytes long.
 Data: <&#240;a&#218;Z&#209;           > F0 61 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D15ADA61F0, 40 bytes long.
 Data: <`x&#218;Z&#209;    &#174;&#177;\&#209;   > 60 78 DA 5A D1 01 00 00 90 AE B1 5C D1 01 00 00 
{264} normal block at 0x000001D15ADA74F0, 16 bytes long.
 Data: <P &#218;Z&#209;           > 50 80 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D15ADA7E50, 16 bytes long.
 Data: <( &#218;Z&#209;           > 28 80 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D15ADA05E0, 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 0x000001D15ADA74A0, 16 bytes long.
 Data: <  &#218;Z&#209;           > 00 80 DA 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D15ADA8000, 992 bytes long.
 Data: <&#160;t&#218;Z&#209;   &#224; &#218;Z&#209;   > A0 74 DA 5A D1 01 00 00 E0 05 DA 5A D1 01 00 00 
{96} normal block at 0x000001D15ADA0E80, 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 0x000001D15AD9F230, 16 bytes long.
 Data: < &#200;&#216;Z&#209;           > 10 C8 D8 5A D1 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001D15AD8C810, 40 bytes long.
 Data: <0&#242;&#217;Z&#209;     &#218;Z&#209;   > 30 F2 D9 5A D1 01 00 00 80 0E DA 5A D1 01 00 00 
{73} normal block at 0x000001D15AD9F370, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D15AD9E920, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D15AD9ECE0, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D15AD9EEC0, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D15AD9F280, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D15AD9ED30, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D15AD9F050, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D15AD9E8D0, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D15AD9E7E0, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D15AD9E650, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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