Task 38685034

Name test_68-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9667_0
Workunit 31626523
Created 27 Oct 2026, 19:04:12 UTC
Sent 27 Oct 2026, 19:04:17 UTC
Report deadline 1 Nov 2026, 19:04:17 UTC
Received 27 Oct 2026, 21:47:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 1 hours 0 min 36 sec
CPU time 51 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.06 MB
Peak swap size 2.25 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:44:37 (16748): wrapper (7.9.26016): starting
23:44:37 (16748): 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
23:44:41 (16748): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:44:41 (16748): 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:\BOINC\slots\3\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:\BOINC\slots\3\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
00:43:32 (16748): C:/Windows/system32/cmd.exe exited; CPU time 3086.062500
00:43:32 (16748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 55130415 bytes.
Dumping objects ->
{3835529} normal block at 0x000001B9E09013D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x000001B9E2495A70, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x000001B9E2495A10, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x000001B9E2495D10, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x000001B9E24959B0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x000001B9E09011A0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x000001B9E08F9330, 200 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) : {3835440} normal block at 0x000001B9E08F6C40, 8 bytes long.
 Data: <  0&#226;    > 00 00 30 E2 B9 01 00 00 
{3834685} normal block at 0x000001B9E08F9660, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001B9E08F75A0, 8 bytes long.
 Data: <PPN&#226;    > 50 50 4E E2 B9 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001B9E0901E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B9E08E5F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001B9E0903600, 16 bytes long.
 Data: < ?&#144;&#224;            > 88 3F 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B9E0903AB0, 16 bytes long.
 Data: <`?&#144;&#224;            > 60 3F 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B9E08FC4B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001B9E0903880, 16 bytes long.
 Data: <8?&#144;&#224;            > 38 3F 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B9E09035B0, 16 bytes long.
 Data: < ?&#144;&#224;            > 10 3F 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B9E0903010, 16 bytes long.
 Data: <&#232;>&#144;&#224;            > E8 3E 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B9E0902F70, 16 bytes long.
 Data: <&#192;>&#144;&#224;            > C0 3E 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B9E0901520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001B9E0903420, 16 bytes long.
 Data: <&#184;^&#142;&#224;            > B8 5E 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B9E08FC1B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001B9E0903A60, 16 bytes long.
 Data: <&#144;^&#142;&#224;            > 90 5E 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B9E0903510, 16 bytes long.
 Data: <h^&#142;&#224;            > 68 5E 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B9E09037E0, 16 bytes long.
 Data: <@^&#142;&#224;            > 40 5E 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B9E0903740, 16 bytes long.
 Data: < ^&#142;&#224;            > 18 5E 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B9E0903920, 16 bytes long.
 Data: <&#240;]&#142;&#224;            > F0 5D 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B9E0902CA0, 16 bytes long.
 Data: <&#200;]&#142;&#224;            > C8 5D 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B9E08FB910, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x000001B9E09033D0, 16 bytes long.
 Data: <&#160;]&#142;&#224;            > A0 5D 8E E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B9E08E5DA0, 320 bytes long.
 Data: <&#208;3&#144;&#224;      &#143;&#224;    > D0 33 90 E0 B9 01 00 00 10 B9 8F E0 B9 01 00 00 
{267} normal block at 0x000001B9E0903380, 16 bytes long.
 Data: <&#160;>&#144;&#224;            > A0 3E 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B9E0903830, 16 bytes long.
 Data: <x>&#144;&#224;            > 78 3E 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B9E08FC0F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001B9E0902F20, 16 bytes long.
 Data: <P>&#144;&#224;            > 50 3E 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B9E08FBAF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001B9E0903240, 16 bytes long.
 Data: < =&#144;&#224;            > 98 3D 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B9E0903B50, 16 bytes long.
 Data: <p=&#144;&#224;            > 70 3D 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B9E0903330, 16 bytes long.
 Data: <H=&#144;&#224;            > 48 3D 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B9E0903560, 16 bytes long.
 Data: < =&#144;&#224;            > 20 3D 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B9E09031A0, 16 bytes long.
 Data: <&#248;<&#144;&#224;            > F8 3C 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B9E0903790, 16 bytes long.
 Data: <&#208;<&#144;&#224;            > D0 3C 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B9E09036F0, 16 bytes long.
 Data: <p &#144;&#224;            > 70 16 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B9E0901670, 40 bytes long.
 Data: <&#240;6&#144;&#224;    &#160; &#144;&#224;    > F0 36 90 E0 B9 01 00 00 A0 11 90 E0 B9 01 00 00 
{253} normal block at 0x000001B9E09031F0, 16 bytes long.
 Data: <&#176;<&#144;&#224;            > B0 3C 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B9E0903A10, 16 bytes long.
 Data: < <&#144;&#224;            > 88 3C 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B9E08FC450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001B9E09032E0, 16 bytes long.
 Data: <`<&#144;&#224;            > 60 3C 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001B9E0903C60, 992 bytes long.
 Data: <&#224;2&#144;&#224;    P&#196;&#143;&#224;    > E0 32 90 E0 B9 01 00 00 50 C4 8F E0 B9 01 00 00 
{85} normal block at 0x000001B9E08FC3F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001B9E08F6D30, 16 bytes long.
 Data: <P &#144;&#224;            > 50 17 90 E0 B9 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001B9E0901750, 40 bytes long.
 Data: <0m&#143;&#224;    &#240;&#195;&#143;&#224;    > 30 6D 8F E0 B9 01 00 00 F0 C3 8F E0 B9 01 00 00 
{62} normal block at 0x000001B9E08F7640, 16 bytes long.
 Data: <&#128;&#234;&#241;&#226;&#246;           > 80 EA F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B9E08F6B00, 16 bytes long.
 Data: <@&#233;&#241;&#226;&#246;           > 40 E9 F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B9E08F7230, 16 bytes long.
 Data: <&#248;W&#238;&#226;&#246;           > F8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B9E08F70A0, 16 bytes long.
 Data: <&#216;W&#238;&#226;&#246;           > D8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B9E08F6D80, 16 bytes long.
 Data: <P &#238;&#226;&#246;           > 50 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B9E08F7410, 16 bytes long.
 Data: <0 &#238;&#226;&#246;           > 30 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B9E08F69C0, 16 bytes long.
 Data: <&#224; &#238;&#226;&#246;           > E0 02 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B9E08F6970, 16 bytes long.
 Data: <  &#238;&#226;&#246;           > 10 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B9E08F7370, 16 bytes long.
 Data: <p &#238;&#226;&#246;           > 70 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001B9E08F6A60, 16 bytes long.
 Data: < &#192;&#236;&#226;&#246;           > 18 C0 EC E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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