Task 38666671

Name test_980-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND6964_1
Workunit 31609159
Created 25 Oct 2026, 4:20:35 UTC
Sent 25 Oct 2026, 4:53:09 UTC
Report deadline 30 Oct 2026, 4:53:09 UTC
Received 25 Oct 2026, 18:50:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 8 hours 9 min 53 sec
CPU time 6 hours 19 min 20 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.23 MB
Peak swap size 5.39 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
06:41:20 (4964): wrapper (7.9.26016): starting
06:41:20 (4964): 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
06:41:22 (4964): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:41:22 (4964): 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\Boinc2\slots\5\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\Boinc2\slots\5\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
14:50:04 (4964): C:/Windows/system32/cmd.exe exited; CPU time 22760.265625
14:50:04 (4964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 369360845 bytes.
Dumping objects ->
{3835332} normal block at 0x0000024108845A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x0000024108845BE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x0000024108845550, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x00000241088456A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x0000024108845E80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x00000241087AB380, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000002410880CF90, 102 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) : {3835243} normal block at 0x0000024106C379D0, 8 bytes long.
 Data: <  T A   > 00 00 54 08 41 02 00 00 
{3834581} normal block at 0x000002410880CEE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000024106C37520, 8 bytes long.
 Data: <&#192; &#133; A   > C0 1F 85 08 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000024106C40EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024106C2B210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000024106C426B0, 16 bytes long.
 Data: <(F&#196; A           > 28 46 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024106C424D0, 16 bytes long.
 Data: < F&#196; A           > 00 46 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024106C3D5C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000024106C42390, 16 bytes long.
 Data: <&#216;E&#196; A           > D8 45 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024106C42340, 16 bytes long.
 Data: <&#176;E&#196; A           > B0 45 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024106C428E0, 16 bytes long.
 Data: < E&#196; A           > 88 45 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024106C422A0, 16 bytes long.
 Data: <`E&#196; A           > 60 45 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024106C3C5E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000024106C42250, 16 bytes long.
 Data: <&#200;&#202;&#194; A           > C8 CA C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024106C3D560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000024106C42200, 16 bytes long.
 Data: <&#160;&#202;&#194; A           > A0 CA C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024106C42B10, 16 bytes long.
 Data: <x&#202;&#194; A           > 78 CA C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024106C421B0, 16 bytes long.
 Data: <P&#202;&#194; A           > 50 CA C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024106C42660, 16 bytes long.
 Data: <(&#202;&#194; A           > 28 CA C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024106C42DE0, 16 bytes long.
 Data: < &#202;&#194; A           > 00 CA C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024106C422F0, 16 bytes long.
 Data: <&#216;&#201;&#194; A           > D8 C9 C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024106C3DCE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000024106C420C0, 16 bytes long.
 Data: <&#176;&#201;&#194; A           > B0 C9 C2 06 41 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024106C2C9B0, 320 bytes long.
 Data: <&#192; &#196; A   &#224;&#220;&#195; A   > C0 20 C4 06 41 02 00 00 E0 DC C3 06 41 02 00 00 
{270} normal block at 0x0000024106C42160, 16 bytes long.
 Data: <@E&#196; A           > 40 45 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024106C42CF0, 16 bytes long.
 Data: < E&#196; A           > 18 45 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024106C3DB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000024106C42C50, 16 bytes long.
 Data: <&#240;D&#196; A           > F0 44 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024106C3DA40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000024106C42E30, 16 bytes long.
 Data: <8D&#196; A           > 38 44 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024106C42110, 16 bytes long.
 Data: < D&#196; A           > 10 44 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024106C42700, 16 bytes long.
 Data: <&#232;C&#196; A           > E8 43 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024106C42070, 16 bytes long.
 Data: <&#192;C&#196; A           > C0 43 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024106C42D40, 16 bytes long.
 Data: < C&#196; A           > 98 43 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024106C42AC0, 16 bytes long.
 Data: <pC&#196; A           > 70 43 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024106C42610, 16 bytes long.
 Data: < &#193;&#195; A           > 10 C1 C3 06 41 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024106C3C110, 40 bytes long.
 Data: < &&#196; A    &#179;z A   > 10 26 C4 06 41 02 00 00 80 B3 7A 08 41 02 00 00 
{256} normal block at 0x0000024106C429D0, 16 bytes long.
 Data: <PC&#196; A           > 50 43 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024106C42CA0, 16 bytes long.
 Data: <(C&#196; A           > 28 43 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024106C3E2E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000024106C42570, 16 bytes long.
 Data: < C&#196; A           > 00 43 C4 06 41 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024106C44300, 992 bytes long.
 Data: <p%&#196; A   &#224;&#226;&#195; A   > 70 25 C4 06 41 02 00 00 E0 E2 C3 06 41 02 00 00 
{88} normal block at 0x0000024106C3E340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000024106C377F0, 16 bytes long.
 Data: <0&#192;&#195; A           > 30 C0 C3 06 41 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000024106C3C030, 40 bytes long.
 Data: <&#240;w&#195; A   @&#227;&#195; A   > F0 77 C3 06 41 02 00 00 40 E3 C3 06 41 02 00 00 
{65} normal block at 0x0000024106C37480, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024106C37E30, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024106C37430, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024106C37340, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024106C37980, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024106C37D90, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024106C38100, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024106C37ED0, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024106C37250, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024106C37F20, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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