Task 38699498

Name test_351-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9046_1
Workunit 31634365
Created 4 Nov 2026, 12:10:18 UTC
Sent 4 Nov 2026, 12:10:23 UTC
Report deadline 9 Nov 2026, 12:10:23 UTC
Received 6 Nov 2026, 10:58:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 1 min 46 sec
CPU time 55 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.05 MB
Peak swap size 2.37 GB
Peak disk usage 3.95 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:58:08 (7236): wrapper (7.9.26016): starting
10:58:08 (7236): 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
10:58:11 (7236): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:58:11 (7236): 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\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 'C:\ProgramData\BOINC\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
11:57:17 (7236): C:/Windows/system32/cmd.exe exited; CPU time 3305.078125
11:57:17 (7236): 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: 48300731 bytes.
Dumping objects ->
{3835416} normal block at 0x0000014C097B0FF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000014C097B1760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x0000014C097B0CE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x0000014C097B0C70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000014C097B1140, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x0000014C0987BFC0, 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) : {3835328} normal block at 0x0000014C07E37280, 8 bytes long.
 Data: <  &#224; L   > 00 00 E0 07 4C 01 00 00 
{3833949} normal block at 0x0000014C07E36650, 8 bytes long.
 Data: <&#192; &#138;	L   > C0 16 8A 09 4C 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000014C07E40FF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014C07E25C70, 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 0x0000014C07E42300, 16 bytes long.
 Data: <(6&#228; L           > 28 36 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014C07E42940, 16 bytes long.
 Data: < 6&#228; L           > 00 36 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014C07E3CA40, 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 0x0000014C07E42170, 16 bytes long.
 Data: <&#216;5&#228; L           > D8 35 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000014C07E41FE0, 16 bytes long.
 Data: <&#176;5&#228; L           > B0 35 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014C07E428F0, 16 bytes long.
 Data: < 5&#228; L           > 88 35 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014C07E41F40, 16 bytes long.
 Data: <`5&#228; L           > 60 35 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014C07E3B2D0, 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 0x0000014C07E423F0, 16 bytes long.
 Data: < \&#226; L           > 08 5C E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014C07E3CB60, 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 0x0000014C07E42440, 16 bytes long.
 Data: <&#224;[&#226; L           > E0 5B E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000014C07E428A0, 16 bytes long.
 Data: <&#184;[&#226; L           > B8 5B E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014C07E42E90, 16 bytes long.
 Data: < [&#226; L           > 90 5B E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014C07E42530, 16 bytes long.
 Data: <h[&#226; L           > 68 5B E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014C07E42DF0, 16 bytes long.
 Data: <@[&#226; L           > 40 5B E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014C07E42D50, 16 bytes long.
 Data: < [&#226; L           > 18 5B E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014C07E3CFE0, 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 0x0000014C07E42D00, 16 bytes long.
 Data: <&#240;Z&#226; L           > F0 5A E2 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014C07E25AF0, 320 bytes long.
 Data: < -&#228; L   &#224;&#207;&#227; L   > 00 2D E4 07 4C 01 00 00 E0 CF E3 07 4C 01 00 00 
{270} normal block at 0x0000014C07E42490, 16 bytes long.
 Data: <@5&#228; L           > 40 35 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014C07E426C0, 16 bytes long.
 Data: < 5&#228; L           > 18 35 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014C07E3C620, 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 0x0000014C07E42C60, 16 bytes long.
 Data: <&#240;4&#228; L           > F0 34 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014C07E3CC20, 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 0x0000014C07E42120, 16 bytes long.
 Data: <84&#228; L           > 38 34 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014C07E42CB0, 16 bytes long.
 Data: < 4&#228; L           > 10 34 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014C07E42B20, 16 bytes long.
 Data: <&#232;3&#228; L           > E8 33 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014C07E42DA0, 16 bytes long.
 Data: <&#192;3&#228; L           > C0 33 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014C07E42620, 16 bytes long.
 Data: < 3&#228; L           > 98 33 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014C07E42850, 16 bytes long.
 Data: <p3&#228; L           > 70 33 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014C07E424E0, 16 bytes long.
 Data: < &#180;&#227; L           > 90 B4 E3 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014C07E3B490, 40 bytes long.
 Data: <&#224;$&#228; L   &#192;&#191;&#135;	L   > E0 24 E4 07 4C 01 00 00 C0 BF 87 09 4C 01 00 00 
{256} normal block at 0x0000014C07E42800, 16 bytes long.
 Data: <P3&#228; L           > 50 33 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000014C07E420D0, 16 bytes long.
 Data: <(3&#228; L           > 28 33 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014C07E3C560, 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 0x0000014C07E42A30, 16 bytes long.
 Data: < 3&#228; L           > 00 33 E4 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000014C07E43300, 992 bytes long.
 Data: <0*&#228; L   `&#197;&#227; L   > 30 2A E4 07 4C 01 00 00 60 C5 E3 07 4C 01 00 00 
{88} normal block at 0x0000014C07E3D1C0, 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 0x0000014C07E36EC0, 16 bytes long.
 Data: <&#192;&#182;&#227; L           > C0 B6 E3 07 4C 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000014C07E3B6C0, 40 bytes long.
 Data: <&#192;n&#227; L   &#192;&#209;&#227; L   > C0 6E E3 07 4C 01 00 00 C0 D1 E3 07 4C 01 00 00 
{65} normal block at 0x0000014C07E36E70, 16 bytes long.
 Data: < &#234;&#204;P&#247;           > 80 EA CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014C07E37140, 16 bytes long.
 Data: <@&#233;&#204;P&#247;           > 40 E9 CC 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014C07E368D0, 16 bytes long.
 Data: <&#248;W&#201;P&#247;           > F8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014C07E365B0, 16 bytes long.
 Data: <&#216;W&#201;P&#247;           > D8 57 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014C07E36510, 16 bytes long.
 Data: <P &#201;P&#247;           > 50 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014C07E36600, 16 bytes long.
 Data: <0 &#201;P&#247;           > 30 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014C07E36560, 16 bytes long.
 Data: <&#224; &#201;P&#247;           > E0 02 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014C07E36D30, 16 bytes long.
 Data: <  &#201;P&#247;           > 10 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014C07E36CE0, 16 bytes long.
 Data: <p &#201;P&#247;           > 70 04 C9 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000014C07E36BF0, 16 bytes long.
 Data: < &#192;&#199;P&#247;           > 18 C0 C7 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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