Task 38667328

Name test_932-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND1145_0
Workunit 31609969
Created 25 Oct 2026, 7:27:06 UTC
Sent 25 Oct 2026, 7:27:15 UTC
Report deadline 30 Oct 2026, 7:27:15 UTC
Received 25 Oct 2026, 8:58:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 31 min 40 sec
CPU time 29 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.40 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:28:29 (438600): wrapper (7.9.26016): starting
03:28:29 (438600): 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
03:28:30 (438600): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:28:30 (438600): 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\19\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\19\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
03:58:30 (438600): C:/Windows/system32/cmd.exe exited; CPU time 1761.484375
03:58:30 (438600): 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: 39538625 bytes.
Dumping objects ->
{3835248} normal block at 0x000001C4E2A75710, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001C4E2A76350, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001C4E2A75780, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x000001C4E2A755C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x000001C4E2A75FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000001C4E2A43E30, 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) : {3835160} normal block at 0x000001C4E2A1BB70, 8 bytes long.
 Data: <   &#226;&#196;   > 00 00 9D E2 C4 01 00 00 
{3833959} normal block at 0x000001C4E2A1B760, 8 bytes long.
 Data: <&#160;&#134;v&#228;&#196;   > A0 86 76 E4 C4 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C4E29FAC20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C4E29FCE70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001C4E2A1B940, 16 bytes long.
 Data: <x&#142;&#161;&#226;&#196;           > 78 8E A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C4E2A1B8F0, 16 bytes long.
 Data: <P&#142;&#161;&#226;&#196;           > 50 8E A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C4E2A1D210, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001C4E2A1B800, 16 bytes long.
 Data: <(&#142;&#161;&#226;&#196;           > 28 8E A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C4E2A1B670, 16 bytes long.
 Data: < &#142;&#161;&#226;&#196;           > 00 8E A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C4E2A1B710, 16 bytes long.
 Data: <&#216; &#161;&#226;&#196;           > D8 8D A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C4E2A1B620, 16 bytes long.
 Data: <&#176; &#161;&#226;&#196;           > B0 8D A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C4E2A19EA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001C4E2A1BC60, 16 bytes long.
 Data: <&#248;g&#161;&#226;&#196;           > F8 67 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C4E2A1C550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001C4E2A1B490, 16 bytes long.
 Data: <&#208;g&#161;&#226;&#196;           > D0 67 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C4E2A1B530, 16 bytes long.
 Data: <&#168;g&#161;&#226;&#196;           > A8 67 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C4E2A1B7B0, 16 bytes long.
 Data: < g&#161;&#226;&#196;           > 80 67 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C4E2A1BE90, 16 bytes long.
 Data: <Xg&#161;&#226;&#196;           > 58 67 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C4E2A1C1B0, 16 bytes long.
 Data: <0g&#161;&#226;&#196;           > 30 67 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C4E2A1BF30, 16 bytes long.
 Data: < g&#161;&#226;&#196;           > 08 67 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C4E2A1C310, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001C4E2A1B5D0, 16 bytes long.
 Data: <&#224;f&#161;&#226;&#196;           > E0 66 A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C4E2A166E0, 320 bytes long.
 Data: <&#208;&#181;&#161;&#226;&#196;    &#195;&#161;&#226;&#196;   > D0 B5 A1 E2 C4 01 00 00 10 C3 A1 E2 C4 01 00 00 
{275} normal block at 0x000001C4E2A1BD50, 16 bytes long.
 Data: <  &#161;&#226;&#196;           > 90 8D A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C4E2A1B440, 16 bytes long.
 Data: <h &#161;&#226;&#196;           > 68 8D A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C4E2A1C3D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001C4E2A1B6C0, 16 bytes long.
 Data: <@ &#161;&#226;&#196;           > 40 8D A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C4E2A1C610, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001C4E2A1C160, 16 bytes long.
 Data: < &#140;&#161;&#226;&#196;           > 88 8C A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C4E2A1C110, 16 bytes long.
 Data: <`&#140;&#161;&#226;&#196;           > 60 8C A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C4E2A1B9E0, 16 bytes long.
 Data: <8&#140;&#161;&#226;&#196;           > 38 8C A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C4E2A1B580, 16 bytes long.
 Data: < &#140;&#161;&#226;&#196;           > 10 8C A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C4E2A1B3F0, 16 bytes long.
 Data: <&#232;&#139;&#161;&#226;&#196;           > E8 8B A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C4E2A1C200, 16 bytes long.
 Data: <&#192;&#139;&#161;&#226;&#196;           > C0 8B A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C4E2A1BA80, 16 bytes long.
 Data: <p&#156;&#161;&#226;&#196;           > 70 9C A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C4E2A19C70, 40 bytes long.
 Data: < &#186;&#161;&#226;&#196;   0>&#164;&#226;&#196;   > 80 BA A1 E2 C4 01 00 00 30 3E A4 E2 C4 01 00 00 
{261} normal block at 0x000001C4E2A1C0C0, 16 bytes long.
 Data: <&#160;&#139;&#161;&#226;&#196;           > A0 8B A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C4E2A1B300, 16 bytes long.
 Data: <x&#139;&#161;&#226;&#196;           > 78 8B A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C4E2A034A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001C4E2A1B8A0, 16 bytes long.
 Data: <P&#139;&#161;&#226;&#196;           > 50 8B A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C4E2A18B50, 992 bytes long.
 Data: <&#160;&#184;&#161;&#226;&#196;   &#160;4&#160;&#226;&#196;   > A0 B8 A1 E2 C4 01 00 00 A0 34 A0 E2 C4 01 00 00 
{93} normal block at 0x000001C4E2A03800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001C4E2A09B20, 16 bytes long.
 Data: < &#159;&#161;&#226;&#196;           > 10 9F A1 E2 C4 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001C4E2A19F10, 40 bytes long.
 Data: < &#155;&#160;&#226;&#196;    8&#160;&#226;&#196;   > 20 9B A0 E2 C4 01 00 00 00 38 A0 E2 C4 01 00 00 
{70} normal block at 0x000001C4E2A09670, 16 bytes long.
 Data: < &#234;YJ&#246;           > 80 EA 59 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C4E2A09080, 16 bytes long.
 Data: <@&#233;YJ&#246;           > 40 E9 59 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C4E2A09940, 16 bytes long.
 Data: <&#248;WVJ&#246;           > F8 57 56 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C4E2A09350, 16 bytes long.
 Data: <&#216;WVJ&#246;           > D8 57 56 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C4E2A09030, 16 bytes long.
 Data: <P VJ&#246;           > 50 04 56 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C4E2A092B0, 16 bytes long.
 Data: <0 VJ&#246;           > 30 04 56 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C4E2A099E0, 16 bytes long.
 Data: <&#224; VJ&#246;           > E0 02 56 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C4E2A08EF0, 16 bytes long.
 Data: <  VJ&#246;           > 10 04 56 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C4E2A098A0, 16 bytes long.
 Data: <p VJ&#246;           > 70 04 56 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C4E2A09AD0, 16 bytes long.
 Data: < &#192;TJ&#246;           > 18 C0 54 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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