Task 38680661

Name test_183-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5057_0
Workunit 31622371
Created 27 Oct 2026, 0:46:34 UTC
Sent 27 Oct 2026, 0:46:38 UTC
Report deadline 1 Nov 2026, 0:46:38 UTC
Received 27 Oct 2026, 2:14:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652862
Run time 20 min 6 sec
CPU time 18 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.39 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:54:26 (27772): wrapper (7.9.26016): starting
01:54:26 (27772): 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
01:54:27 (27772): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:54:27 (27772): 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.
  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
02:13:53 (27772): C:/Windows/system32/cmd.exe exited; CPU time 1136.890625
02:13:53 (27772): 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: 22719121 bytes.
Dumping objects ->
{3835578} normal block at 0x00000171E7D5DD80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x00000171E7D5DC30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x00000171E7D5D4C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835545} normal block at 0x00000171E7D5D300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x00000171E5FF4D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835503} normal block at 0x00000171E7DABDB0, 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) : {3835490} normal block at 0x00000171E5FEF810, 8 bytes long.
 Data: <  V&#230;q   > 00 00 56 E6 71 01 00 00 
{3833959} normal block at 0x00000171E5FEF040, 8 bytes long.
 Data: <0D&#224;&#231;q   > 30 44 E0 E7 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000171E5FF1240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000171E5FE6B50, 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 0x00000171E5FF6020, 16 bytes long.
 Data: < j&#255;&#229;q           > 98 6A FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000171E5FF5FD0, 16 bytes long.
 Data: <pj&#255;&#229;q           > 70 6A FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000171E5FF02D0, 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 0x00000171E5FF5B70, 16 bytes long.
 Data: <Hj&#255;&#229;q           > 48 6A FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000171E5FF5D50, 16 bytes long.
 Data: < j&#255;&#229;q           > 20 6A FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000171E5FF5B20, 16 bytes long.
 Data: <&#248;i&#255;&#229;q           > F8 69 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000171E5FF5EE0, 16 bytes long.
 Data: <&#208;i&#255;&#229;q           > D0 69 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000171E5FF4AF0, 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 0x00000171E5FF62A0, 16 bytes long.
 Data: <(&#231;&#254;&#229;q           > 28 E7 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000171E5FF05D0, 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 0x00000171E5FF58A0, 16 bytes long.
 Data: < &#231;&#254;&#229;q           > 00 E7 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000171E5FF6390, 16 bytes long.
 Data: <&#216;&#230;&#254;&#229;q           > D8 E6 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000171E5FF5E40, 16 bytes long.
 Data: <&#176;&#230;&#254;&#229;q           > B0 E6 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000171E5FF5E90, 16 bytes long.
 Data: < &#230;&#254;&#229;q           > 88 E6 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000171E5FF5F80, 16 bytes long.
 Data: <`&#230;&#254;&#229;q           > 60 E6 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000171E5FF6700, 16 bytes long.
 Data: <8&#230;&#254;&#229;q           > 38 E6 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000171E5FF07B0, 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 0x00000171E5FF5DF0, 16 bytes long.
 Data: < &#230;&#254;&#229;q           > 10 E6 FE E5 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000171E5FEE610, 320 bytes long.
 Data: <&#240;]&#255;&#229;q   &#176; &#255;&#229;q   > F0 5D FF E5 71 01 00 00 B0 07 FF E5 71 01 00 00 
{275} normal block at 0x00000171E5FF5800, 16 bytes long.
 Data: <&#176;i&#255;&#229;q           > B0 69 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000171E5FF5C60, 16 bytes long.
 Data: < i&#255;&#229;q           > 88 69 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000171E5FF0510, 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 0x00000171E5FF6200, 16 bytes long.
 Data: <`i&#255;&#229;q           > 60 69 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000171E5FEFEB0, 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 0x00000171E5FF65C0, 16 bytes long.
 Data: <&#168;h&#255;&#229;q           > A8 68 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000171E5FF5CB0, 16 bytes long.
 Data: < h&#255;&#229;q           > 80 68 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000171E5FF5A80, 16 bytes long.
 Data: <Xh&#255;&#229;q           > 58 68 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000171E5FF6610, 16 bytes long.
 Data: <0h&#255;&#229;q           > 30 68 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000171E5FF5BC0, 16 bytes long.
 Data: < h&#255;&#229;q           > 08 68 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000171E5FF5A30, 16 bytes long.
 Data: <&#224;g&#255;&#229;q           > E0 67 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000171E5FF64D0, 16 bytes long.
 Data: <0I&#255;&#229;q           > 30 49 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000171E5FF4930, 40 bytes long.
 Data: <&#208;d&#255;&#229;q   &#176;&#189;&#218;&#231;q   > D0 64 FF E5 71 01 00 00 B0 BD DA E7 71 01 00 00 
{261} normal block at 0x00000171E5FF5850, 16 bytes long.
 Data: <&#192;g&#255;&#229;q           > C0 67 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000171E5FF5F30, 16 bytes long.
 Data: < g&#255;&#229;q           > 98 67 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000171E5FEFC70, 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 0x00000171E5FF6480, 16 bytes long.
 Data: <pg&#255;&#229;q           > 70 67 FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000171E5FF6770, 992 bytes long.
 Data: < d&#255;&#229;q   p&#252;&#254;&#229;q   > 80 64 FF E5 71 01 00 00 70 FC FE E5 71 01 00 00 
{93} normal block at 0x00000171E5FEFE50, 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 0x00000171E5FEF4F0, 16 bytes long.
 Data: <pN&#255;&#229;q           > 70 4E FF E5 71 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000171E5FF4E70, 40 bytes long.
 Data: <&#240;&#244;&#254;&#229;q   P&#254;&#254;&#229;q   > F0 F4 FE E5 71 01 00 00 50 FE FE E5 71 01 00 00 
{70} normal block at 0x00000171E5FEF220, 16 bytes long.
 Data: < &#234;&#147; &#246;           > 80 EA 93 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000171E5FEF450, 16 bytes long.
 Data: <@&#233;&#147; &#246;           > 40 E9 93 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000171E5FEEC30, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 90 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000171E5FEF400, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 90 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000171E5FEEF50, 16 bytes long.
 Data: <P   &#246;           > 50 04 90 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000171E5FEF1D0, 16 bytes long.
 Data: <0   &#246;           > 30 04 90 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000171E5FEF8B0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 90 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000171E5FEEC80, 16 bytes long.
 Data: <    &#246;           > 10 04 90 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000171E5FEF2C0, 16 bytes long.
 Data: <p   &#246;           > 70 04 90 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000171E5FEF6D0, 16 bytes long.
 Data: < &#192;&#142; &#246;           > 18 C0 8E 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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