Task 38683007

Name test_370-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8974_0
Workunit 31624592
Created 27 Oct 2026, 10:03:05 UTC
Sent 27 Oct 2026, 10:03:10 UTC
Report deadline 1 Nov 2026, 10:03:10 UTC
Received 27 Oct 2026, 10:36:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 32 min 31 sec
CPU time 29 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.52 MB
Peak swap size 6.89 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:04:36 (26728): wrapper (7.9.26016): starting
05:04:36 (26728): 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
05:04:38 (26728): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:04:38 (26728): 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\14\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\14\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
05:35:51 (26728): C:/Windows/system32/cmd.exe exited; CPU time 1787.984375
05:35:51 (26728): 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: 41783287 bytes.
Dumping objects ->
{3835265} normal block at 0x00000291E282C6C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x00000291E0B14D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x00000291E0B14C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x00000291E0B14C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x00000291E0B14B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x00000291E2875BF0, 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) : {3835177} normal block at 0x00000291E0B0F990, 8 bytes long.
 Data: <  &#249;&#224;&#145;   > 00 00 F9 E0 91 02 00 00 
{3833963} normal block at 0x00000291E0B10520, 8 bytes long.
 Data: <&#208;F &#226;&#145;   > D0 46 8D E2 91 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000291E0B11580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000291E0AFF0C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000291E0B15980, 16 bytes long.
 Data: <&#216;e&#177;&#224;&#145;           > D8 65 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000291E0B15340, 16 bytes long.
 Data: <&#176;e&#177;&#224;&#145;           > B0 65 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000291E0B0EAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000291E0B15890, 16 bytes long.
 Data: < e&#177;&#224;&#145;           > 88 65 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000291E0B15570, 16 bytes long.
 Data: <`e&#177;&#224;&#145;           > 60 65 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000291E0B16150, 16 bytes long.
 Data: <8e&#177;&#224;&#145;           > 38 65 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000291E0B15B60, 16 bytes long.
 Data: < e&#177;&#224;&#145;           > 10 65 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000291E0B14A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000291E0B15DE0, 16 bytes long.
 Data: <h &#176;&#224;&#145;           > 68 8D B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000291E0B0EE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000291E0B152F0, 16 bytes long.
 Data: <@ &#176;&#224;&#145;           > 40 8D B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000291E0B158E0, 16 bytes long.
 Data: <  &#176;&#224;&#145;           > 18 8D B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000291E0B15E30, 16 bytes long.
 Data: <&#240;&#140;&#176;&#224;&#145;           > F0 8C B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000291E0B15C00, 16 bytes long.
 Data: <&#200;&#140;&#176;&#224;&#145;           > C8 8C B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000291E0B15840, 16 bytes long.
 Data: <&#160;&#140;&#176;&#224;&#145;           > A0 8C B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000291E0B157F0, 16 bytes long.
 Data: <x&#140;&#176;&#224;&#145;           > 78 8C B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000291E0B0F0A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000291E0B15FC0, 16 bytes long.
 Data: <P&#140;&#176;&#224;&#145;           > 50 8C B0 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000291E0B08C50, 320 bytes long.
 Data: <&#192;_&#177;&#224;&#145;   &#160;&#240;&#176;&#224;&#145;   > C0 5F B1 E0 91 02 00 00 A0 F0 B0 E0 91 02 00 00 
{277} normal block at 0x00000291E0B15930, 16 bytes long.
 Data: <&#240;d&#177;&#224;&#145;           > F0 64 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000291E0B15480, 16 bytes long.
 Data: <&#200;d&#177;&#224;&#145;           > C8 64 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000291E0B0F280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000291E0B16240, 16 bytes long.
 Data: <&#160;d&#177;&#224;&#145;           > A0 64 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000291E0B0F4C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000291E0B15D90, 16 bytes long.
 Data: <&#232;c&#177;&#224;&#145;           > E8 63 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000291E0B15660, 16 bytes long.
 Data: <&#192;c&#177;&#224;&#145;           > C0 63 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000291E0B15700, 16 bytes long.
 Data: < c&#177;&#224;&#145;           > 98 63 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000291E0B156B0, 16 bytes long.
 Data: <pc&#177;&#224;&#145;           > 70 63 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000291E0B15E80, 16 bytes long.
 Data: <Hc&#177;&#224;&#145;           > 48 63 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000291E0B15ED0, 16 bytes long.
 Data: < c&#177;&#224;&#145;           > 20 63 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000291E0B15C50, 16 bytes long.
 Data: < M&#177;&#224;&#145;           > 00 4D B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000291E0B14D00, 40 bytes long.
 Data: <P\&#177;&#224;&#145;   &#240;[&#135;&#226;&#145;   > 50 5C B1 E0 91 02 00 00 F0 5B 87 E2 91 02 00 00 
{263} normal block at 0x00000291E0B15610, 16 bytes long.
 Data: < c&#177;&#224;&#145;           > 00 63 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000291E0B15B10, 16 bytes long.
 Data: <&#216;b&#177;&#224;&#145;           > D8 62 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000291E0B0EF80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000291E0B161F0, 16 bytes long.
 Data: <&#176;b&#177;&#224;&#145;           > B0 62 B1 E0 91 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000291E0B162B0, 992 bytes long.
 Data: <&#240;a&#177;&#224;&#145;    &#239;&#176;&#224;&#145;   > F0 61 B1 E0 91 02 00 00 80 EF B0 E0 91 02 00 00 
{95} normal block at 0x00000291E0B0F040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000291E0B0F8A0, 16 bytes long.
 Data: <&#192;&#212;&#175;&#224;&#145;           > C0 D4 AF E0 91 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000291E0AFD4C0, 40 bytes long.
 Data: <&#160;&#248;&#176;&#224;&#145;   @&#240;&#176;&#224;&#145;   > A0 F8 B0 E0 91 02 00 00 40 F0 B0 E0 91 02 00 00 
{72} normal block at 0x00000291E0B10660, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000291E0B10340, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000291E0B0FDF0, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000291E0B0FE90, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000291E0B0F7B0, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000291E0B105C0, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000291E0B0FF80, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000291E0B10480, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000291E0B10070, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000291E0B10610, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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