Task 38689609

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8481_0
Workunit 31630846
Created 28 Oct 2026, 22:15:26 UTC
Sent 28 Oct 2026, 22:15:32 UTC
Report deadline 2 Nov 2026, 22:15:32 UTC
Received 28 Oct 2026, 22:53:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 19 min 8 sec
CPU time 17 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.55 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:34:00 (38432): wrapper (7.9.26016): starting
23:34:00 (38432): 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
23:34:01 (38432): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:34:01 (38432): 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 'E:\BOINC\data\slots\1\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 'E:\BOINC\data\slots\1\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
23:52:00 (38432): C:/Windows/system32/cmd.exe exited; CPU time 1055.234375
23:52:00 (38432): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 25343187 bytes.
Dumping objects ->
{3835311} normal block at 0x00000220056B7020, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x00000220056795F0, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x0000022005678990, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x000002200567A070, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x0000022005679410, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x00000220056B6DF0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x00000220056426F0, 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) : {3835222} normal block at 0x0000022003931940, 8 bytes long.
 Data: <  &#241;     > 00 00 F1 03 20 02 00 00 
{3834590} normal block at 0x0000022005641930, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x00000220039316C0, 8 bytes long.
 Data: <&#160;&#226;&#160;     > A0 E2 A0 03 20 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000022003929190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002200392A690, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000022003939380, 16 bytes long.
 Data: <  &#147;             > 98 99 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000022003939010, 16 bytes long.
 Data: <p &#147;             > 70 99 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022003933960, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000220039392E0, 16 bytes long.
 Data: <H &#147;             > 48 99 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022003938F70, 16 bytes long.
 Data: <  &#147;             > 20 99 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022003938890, 16 bytes long.
 Data: <&#248; &#147;             > F8 98 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022003938DE0, 16 bytes long.
 Data: <&#208; &#147;             > D0 98 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022003936D80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000022003939290, 16 bytes long.
 Data: <&#184; &#146;             > B8 13 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022003933E40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000220039389D0, 16 bytes long.
 Data: <  &#146;             > 90 13 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022003938750, 16 bytes long.
 Data: <h &#146;             > 68 13 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022003938840, 16 bytes long.
 Data: <@ &#146;             > 40 13 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022003938E80, 16 bytes long.
 Data: <  &#146;             > 18 13 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000220039393D0, 16 bytes long.
 Data: <&#240; &#146;             > F0 12 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022003938E30, 16 bytes long.
 Data: <&#200; &#146;             > C8 12 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022003933840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000220039391F0, 16 bytes long.
 Data: <&#160; &#146;             > A0 12 92 03 20 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000220039212A0, 320 bytes long.
 Data: <&#240;&#145;&#147;     @8&#147;     > F0 91 93 03 20 02 00 00 40 38 93 03 20 02 00 00 
{284} normal block at 0x00000220039390B0, 16 bytes long.
 Data: <&#176; &#147;             > B0 98 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022003938D90, 16 bytes long.
 Data: <  &#147;             > 88 98 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022003933CC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000220039386B0, 16 bytes long.
 Data: <` &#147;             > 60 98 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022003933C00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000022003938CF0, 16 bytes long.
 Data: <&#168;&#151;&#147;             > A8 97 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022003938C50, 16 bytes long.
 Data: < &#151;&#147;             > 80 97 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022003939330, 16 bytes long.
 Data: <X&#151;&#147;             > 58 97 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000220039387A0, 16 bytes long.
 Data: <0&#151;&#147;             > 30 97 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022003938BB0, 16 bytes long.
 Data: < &#151;&#147;             > 08 97 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022003939240, 16 bytes long.
 Data: <&#224;&#150;&#147;             > E0 96 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022003938FC0, 16 bytes long.
 Data: <&#208;n&#147;             > D0 6E 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022003936ED0, 40 bytes long.
 Data: <&#192;&#143;&#147;     &#240;mk     > C0 8F 93 03 20 02 00 00 F0 6D 6B 05 20 02 00 00 
{270} normal block at 0x00000220039394C0, 16 bytes long.
 Data: <&#192;&#150;&#147;             > C0 96 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022003938700, 16 bytes long.
 Data: < &#150;&#147;             > 98 96 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000220039342C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000220039387F0, 16 bytes long.
 Data: <p&#150;&#147;             > 70 96 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022003939670, 992 bytes long.
 Data: <&#240;&#135;&#147;     &#192;B&#147;     > F0 87 93 03 20 02 00 00 C0 42 93 03 20 02 00 00 
{102} normal block at 0x0000022003933780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000022003931440, 16 bytes long.
 Data: < m&#147;             > 10 6D 93 03 20 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000022003936D10, 40 bytes long.
 Data: <@ &#147;      7&#147;     > 40 14 93 03 20 02 00 00 80 37 93 03 20 02 00 00 
{79} normal block at 0x0000022003931BC0, 16 bytes long.
 Data: < &#234;>}&#246;           > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000220039318F0, 16 bytes long.
 Data: <@&#233;>}&#246;           > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000022003931210, 16 bytes long.
 Data: <&#248;W;}&#246;           > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000220039313A0, 16 bytes long.
 Data: <&#216;W;}&#246;           > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022003931D00, 16 bytes long.
 Data: <P ;}&#246;           > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000220039318A0, 16 bytes long.
 Data: <0 ;}&#246;           > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022003931620, 16 bytes long.
 Data: <&#224; ;}&#246;           > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022003931670, 16 bytes long.
 Data: <  ;}&#246;           > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022003931CB0, 16 bytes long.
 Data: <p ;}&#246;           > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022003931490, 16 bytes long.
 Data: < &#192;9}&#246;           > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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