Task 38670586

Name test_281-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND4185_0
Workunit 31612830
Created 25 Oct 2026, 17:59:10 UTC
Sent 25 Oct 2026, 17:59:14 UTC
Report deadline 30 Oct 2026, 17:59:14 UTC
Received 25 Oct 2026, 19:27:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 31 min 9 sec
CPU time 27 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.70 MB
Peak swap size 8.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:56:41 (29092): wrapper (7.9.26016): starting
14:56:41 (29092): 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
14:56:42 (29092): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:56:42 (29092): 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\21\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\21\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
15:26:16 (29092): C:/Windows/system32/cmd.exe exited; CPU time 1646.171875
15:26:16 (29092): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 34712183 bytes.
Dumping objects ->
{3835236} normal block at 0x000001E8BD814E40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001E8BD814B30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001E8BD814AC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000001E8BD814C10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001E8BD814BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000001E8BF6A5180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001E8BF6BEB50, 103 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) : {3835147} normal block at 0x000001E8BD80F3D0, 8 bytes long.
 Data: <  &#211;&#189;&#232;   > 00 00 D3 BD E8 01 00 00 
{3834543} normal block at 0x000001E8BF6BEAA0, 103 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 0x000001E8BD80F1A0, 8 bytes long.
 Data: <`&#130;i&#191;&#232;   > 60 82 69 BF E8 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E8BD8112B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E8BD806550, 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 0x000001E8BD815E30, 16 bytes long.
 Data: <Hi &#189;&#232;           > 48 69 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E8BD8156B0, 16 bytes long.
 Data: < i &#189;&#232;           > 20 69 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E8BD810660, 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 0x000001E8BD815CA0, 16 bytes long.
 Data: <&#248;h &#189;&#232;           > F8 68 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E8BD815890, 16 bytes long.
 Data: <&#208;h &#189;&#232;           > D0 68 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E8BD8162E0, 16 bytes long.
 Data: <&#168;h &#189;&#232;           > A8 68 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E8BD816290, 16 bytes long.
 Data: < h &#189;&#232;           > 80 68 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E8BD8150E0, 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 0x000001E8BD815BB0, 16 bytes long.
 Data: <X&#232; &#189;&#232;           > 58 E8 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E8BD810600, 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 0x000001E8BD815F20, 16 bytes long.
 Data: <0&#232; &#189;&#232;           > 30 E8 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E8BD816240, 16 bytes long.
 Data: < &#232; &#189;&#232;           > 08 E8 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E8BD816560, 16 bytes long.
 Data: <&#224;&#231; &#189;&#232;           > E0 E7 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E8BD8158E0, 16 bytes long.
 Data: <&#184;&#231; &#189;&#232;           > B8 E7 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E8BD815D90, 16 bytes long.
 Data: < &#231; &#189;&#232;           > 90 E7 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E8BD8161F0, 16 bytes long.
 Data: <h&#231; &#189;&#232;           > 68 E7 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E8BD8108A0, 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 0x000001E8BD816150, 16 bytes long.
 Data: <@&#231; &#189;&#232;           > 40 E7 80 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E8BD80E740, 320 bytes long.
 Data: <Pa &#189;&#232;   &#160;  &#189;&#232;   > 50 61 81 BD E8 01 00 00 A0 08 81 BD E8 01 00 00 
{275} normal block at 0x000001E8BD8161A0, 16 bytes long.
 Data: <`h &#189;&#232;           > 60 68 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E8BD815AC0, 16 bytes long.
 Data: <8h &#189;&#232;           > 38 68 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E8BD810000, 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 0x000001E8BD815D40, 16 bytes long.
 Data: < h &#189;&#232;           > 10 68 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E8BD810180, 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 0x000001E8BD8160B0, 16 bytes long.
 Data: <Xg &#189;&#232;           > 58 67 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E8BD816060, 16 bytes long.
 Data: <0g &#189;&#232;           > 30 67 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E8BD815DE0, 16 bytes long.
 Data: < g &#189;&#232;           > 08 67 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E8BD815A20, 16 bytes long.
 Data: <&#224;f &#189;&#232;           > E0 66 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E8BD816100, 16 bytes long.
 Data: <&#184;f &#189;&#232;           > B8 66 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E8BD815ED0, 16 bytes long.
 Data: < f &#189;&#232;           > 90 66 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E8BD816510, 16 bytes long.
 Data: < O &#189;&#232;           > 20 4F 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E8BD814F20, 40 bytes long.
 Data: < e &#189;&#232;    Qj&#191;&#232;   > 10 65 81 BD E8 01 00 00 80 51 6A BF E8 01 00 00 
{261} normal block at 0x000001E8BD815C00, 16 bytes long.
 Data: <pf &#189;&#232;           > 70 66 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E8BD816010, 16 bytes long.
 Data: <Hf &#189;&#232;           > 48 66 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E8BD80FB20, 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 0x000001E8BD8165B0, 16 bytes long.
 Data: < f &#189;&#232;           > 20 66 81 BD E8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E8BD816620, 992 bytes long.
 Data: <&#176;e &#189;&#232;    &#251; &#189;&#232;   > B0 65 81 BD E8 01 00 00 20 FB 80 BD E8 01 00 00 
{93} normal block at 0x000001E8BD810060, 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 0x000001E8BD80EF20, 16 bytes long.
 Data: <&#240;&#221; &#189;&#232;           > F0 DD 7F BD E8 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001E8BD7FDDF0, 40 bytes long.
 Data: < &#239; &#189;&#232;   `  &#189;&#232;   > 20 EF 80 BD E8 01 00 00 60 00 81 BD E8 01 00 00 
{70} normal block at 0x000001E8BD80F330, 16 bytes long.
 Data: < &#234;hc&#246;           > 80 EA 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E8BD80EE80, 16 bytes long.
 Data: <@&#233;hc&#246;           > 40 E9 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E8BD80F6A0, 16 bytes long.
 Data: <&#248;Wec&#246;           > F8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E8BD80EE30, 16 bytes long.
 Data: <&#216;Wec&#246;           > D8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E8BD80F830, 16 bytes long.
 Data: <P ec&#246;           > 50 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E8BD80ECF0, 16 bytes long.
 Data: <0 ec&#246;           > 30 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E8BD80F510, 16 bytes long.
 Data: <&#224; ec&#246;           > E0 02 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E8BD80EDE0, 16 bytes long.
 Data: <  ec&#246;           > 10 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E8BD80F100, 16 bytes long.
 Data: <p ec&#246;           > 70 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E8BD80EB10, 16 bytes long.
 Data: < &#192;cc&#246;           > 18 C0 63 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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