Task 38657302

Name test_138-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND3367_0
Workunit 31600962
Created 24 Oct 2026, 11:31:28 UTC
Sent 24 Oct 2026, 12:22:43 UTC
Report deadline 29 Oct 2026, 12:22:43 UTC
Received 24 Oct 2026, 13:04:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 40 min 56 sec
CPU time 37 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.95 MB
Peak swap size 3.87 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:24:54 (3108): wrapper (7.9.26016): starting
14:24:54 (3108): 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
14:24:56 (3108): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:24:56 (3108): 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 'D:\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 'D:\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
15:04:18 (3108): C:/Windows/system32/cmd.exe exited; CPU time 2276.218750
15:04:18 (3108): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 37638726 bytes.
Dumping objects ->
{3835280} normal block at 0x000001DB027D0C30, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001DB027D14F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000001DB027D0ED0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x000001DB027D0A70, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001DB027D0990, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x000001DB028C4D20, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001DB028DD8C0, 85 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) : {3835191} normal block at 0x000001DB00BD8560, 8 bytes long.
 Data: <  ^ &#219;   > 00 00 5E 02 DB 01 00 00 
{3834566} normal block at 0x000001DB028DD960, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001DB00BD8FB0, 8 bytes long.
 Data: <&#208;&#194;&#188; &#219;   > D0 C2 BC 00 DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001DB00BE3AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DB00BCBF70, 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 0x000001DB00BE4B90, 16 bytes long.
 Data: <X]&#190; &#219;           > 58 5D BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DB00BE4AA0, 16 bytes long.
 Data: <0]&#190; &#219;           > 30 5D BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DB00BDDF80, 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 0x000001DB00BE49B0, 16 bytes long.
 Data: < ]&#190; &#219;           > 08 5D BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DB00BE4960, 16 bytes long.
 Data: <&#224;\&#190; &#219;           > E0 5C BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DB00BE51D0, 16 bytes long.
 Data: <&#184;\&#190; &#219;           > B8 5C BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DB00BE4D20, 16 bytes long.
 Data: < \&#190; &#219;           > 90 5C BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DB00BDE2C0, 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 0x000001DB00BE5720, 16 bytes long.
 Data: <(h&#188; &#219;           > 28 68 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DB00BDD680, 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 0x000001DB00BE5680, 16 bytes long.
 Data: < h&#188; &#219;           > 00 68 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DB00BE4CD0, 16 bytes long.
 Data: <&#216;g&#188; &#219;           > D8 67 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DB00BE4B40, 16 bytes long.
 Data: <&#176;g&#188; &#219;           > B0 67 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DB00BE5130, 16 bytes long.
 Data: < g&#188; &#219;           > 88 67 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DB00BE56D0, 16 bytes long.
 Data: <`g&#188; &#219;           > 60 67 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DB00BE55E0, 16 bytes long.
 Data: <8g&#188; &#219;           > 38 67 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DB00BDD500, 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 0x000001DB00BE5810, 16 bytes long.
 Data: < g&#188; &#219;           > 10 67 BC 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DB00BC6710, 320 bytes long.
 Data: < X&#190; &#219;    &#213;&#189; &#219;   > 10 58 BE 00 DB 01 00 00 00 D5 BD 00 DB 01 00 00 
{275} normal block at 0x000001DB00BE5590, 16 bytes long.
 Data: <p\&#190; &#219;           > 70 5C BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DB00BE5630, 16 bytes long.
 Data: <H\&#190; &#219;           > 48 5C BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DB00BDD6E0, 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 0x000001DB00BE54F0, 16 bytes long.
 Data: < \&#190; &#219;           > 20 5C BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DB00BDDDA0, 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 0x000001DB00BE4A50, 16 bytes long.
 Data: <h[&#190; &#219;           > 68 5B BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DB00BE4F00, 16 bytes long.
 Data: <@[&#190; &#219;           > 40 5B BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DB00BE5400, 16 bytes long.
 Data: < [&#190; &#219;           > 18 5B BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB00BE4910, 16 bytes long.
 Data: <&#240;Z&#190; &#219;           > F0 5A BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DB00BE48C0, 16 bytes long.
 Data: <&#200;Z&#190; &#219;           > C8 5A BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DB00BE5220, 16 bytes long.
 Data: <&#160;Z&#190; &#219;           > A0 5A BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DB00BE5360, 16 bytes long.
 Data: < &#231;&#189; &#219;           > 20 E7 BD 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DB00BDE720, 40 bytes long.
 Data: <`S&#190; &#219;    M&#140; &#219;   > 60 53 BE 00 DB 01 00 00 20 4D 8C 02 DB 01 00 00 
{261} normal block at 0x000001DB00BE4E10, 16 bytes long.
 Data: < Z&#190; &#219;           > 80 5A BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DB00BE54A0, 16 bytes long.
 Data: <XZ&#190; &#219;           > 58 5A BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DB00BDDC80, 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 0x000001DB00BE5310, 16 bytes long.
 Data: <0Z&#190; &#219;           > 30 5A BE 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DB00BE5A30, 992 bytes long.
 Data: < S&#190; &#219;    &#220;&#189; &#219;   > 10 53 BE 00 DB 01 00 00 80 DC BD 00 DB 01 00 00 
{93} normal block at 0x000001DB00BDD3E0, 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 0x000001DB00BD85B0, 16 bytes long.
 Data: < &#225;&#189; &#219;           > 00 E1 BD 00 DB 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001DB00BDE100, 40 bytes long.
 Data: <&#176;&#133;&#189; &#219;   &#224;&#211;&#189; &#219;   > B0 85 BD 00 DB 01 00 00 E0 D3 BD 00 DB 01 00 00 
{70} normal block at 0x000001DB00BD83D0, 16 bytes long.
 Data: < &#234;?&#231;&#247;           > 80 EA 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DB00BD89C0, 16 bytes long.
 Data: <@&#233;?&#231;&#247;           > 40 E9 3F E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DB00BD91E0, 16 bytes long.
 Data: <&#248;W<&#231;&#247;           > F8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DB00BD8F60, 16 bytes long.
 Data: <&#216;W<&#231;&#247;           > D8 57 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DB00BD8790, 16 bytes long.
 Data: <P <&#231;&#247;           > 50 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DB00BD8740, 16 bytes long.
 Data: <0 <&#231;&#247;           > 30 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DB00BD8AB0, 16 bytes long.
 Data: <&#224; <&#231;&#247;           > E0 02 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DB00BD8BA0, 16 bytes long.
 Data: <  <&#231;&#247;           > 10 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DB00BD8380, 16 bytes long.
 Data: <p <&#231;&#247;           > 70 04 3C E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DB00BD92D0, 16 bytes long.
 Data: < &#192;:&#231;&#247;           > 18 C0 3A E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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