Task 38672257

Name test_250-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9091_0
Workunit 31614416
Created 25 Oct 2026, 22:53:47 UTC
Sent 25 Oct 2026, 22:53:49 UTC
Report deadline 30 Oct 2026, 22:53:49 UTC
Received 26 Oct 2026, 1:53:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654590
Run time 1 hours 38 min 12 sec
CPU time 1 hours 38 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.38 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:42:11 (12356): wrapper (7.9.26016): starting
17:42:11 (12356): 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
17:42:18 (12356): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:42:18 (12356): 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\0\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\0\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
18:53:11 (12356): C:/Windows/system32/cmd.exe exited; CPU time 5892.828125
18:53:11 (12356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 67351563 bytes.
Dumping objects ->
{3835449} normal block at 0x0000028288CFC8D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835438} normal block at 0x0000028288CD6770, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000028288CD6700, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835416} normal block at 0x0000028288CD6230, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000028288CD6690, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835374} normal block at 0x000002828AA5DDE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x0000028288D2EBD0, 140 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) : {3835360} normal block at 0x0000028288CD12E0, 8 bytes long.
 Data: <   &#137;&#130;   > 00 00 1C 89 82 02 00 00 
{3834646} normal block at 0x0000028288D2F660, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000028288CD1A10, 8 bytes long.
 Data: <&#224; &#158;&#138;&#130;   > E0 10 9E 8A 82 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000028288CD2CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028288CC8240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000028288CD71F0, 16 bytes long.
 Data: <Xk&#205; &#130;           > 58 6B CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028288CD72E0, 16 bytes long.
 Data: <0k&#205; &#130;           > 30 6B CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028288CD0AD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000028288CD7A10, 16 bytes long.
 Data: < k&#205; &#130;           > 08 6B CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028288CD7240, 16 bytes long.
 Data: <&#224;j&#205; &#130;           > E0 6A CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028288CD76A0, 16 bytes long.
 Data: <&#184;j&#205; &#130;           > B8 6A CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028288CD6ED0, 16 bytes long.
 Data: < j&#205; &#130;           > 90 6A CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028288CD6070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000028288CD78D0, 16 bytes long.
 Data: <  &#204; &#130;           > 98 0C CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028288CD0BF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000028288CD7880, 16 bytes long.
 Data: <p &#204; &#130;           > 70 0C CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028288CD74C0, 16 bytes long.
 Data: <H &#204; &#130;           > 48 0C CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028288CD7100, 16 bytes long.
 Data: <  &#204; &#130;           > 20 0C CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028288CD7470, 16 bytes long.
 Data: <&#248; &#204; &#130;           > F8 0B CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028288CD7BA0, 16 bytes long.
 Data: <&#208; &#204; &#130;           > D0 0B CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028288CD7830, 16 bytes long.
 Data: <&#168; &#204; &#130;           > A8 0B CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028288CD0530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000028288CD6F70, 16 bytes long.
 Data: <  &#204; &#130;           > 80 0B CC 88 82 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028288CC0B80, 320 bytes long.
 Data: <po&#205; &#130;   0 &#205; &#130;   > 70 6F CD 88 82 02 00 00 30 05 CD 88 82 02 00 00 
{272} normal block at 0x0000028288CD7AB0, 16 bytes long.
 Data: <pj&#205; &#130;           > 70 6A CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028288CD7A60, 16 bytes long.
 Data: <Hj&#205; &#130;           > 48 6A CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028288CD05F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000028288CD7150, 16 bytes long.
 Data: < j&#205; &#130;           > 20 6A CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028288CD0110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000028288CD77E0, 16 bytes long.
 Data: <hi&#205; &#130;           > 68 69 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028288CD73D0, 16 bytes long.
 Data: <@i&#205; &#130;           > 40 69 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028288CD7790, 16 bytes long.
 Data: < i&#205; &#130;           > 18 69 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028288CD11F0, 16 bytes long.
 Data: <&#240;h&#205; &#130;           > F0 68 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028288CD1E20, 16 bytes long.
 Data: <&#200;h&#205; &#130;           > C8 68 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028288CD1D80, 16 bytes long.
 Data: <&#160;h&#205; &#130;           > A0 68 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028288CD1D30, 16 bytes long.
 Data: < c&#205; &#130;           > 10 63 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028288CD6310, 40 bytes long.
 Data: <0 &#205; &#130;   &#224;&#221;&#165;&#138;&#130;   > 30 1D CD 88 82 02 00 00 E0 DD A5 8A 82 02 00 00 
{258} normal block at 0x0000028288CD1C40, 16 bytes long.
 Data: < h&#205; &#130;           > 80 68 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028288CD1A60, 16 bytes long.
 Data: <Xh&#205; &#130;           > 58 68 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028288CD0650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000028288CD1920, 16 bytes long.
 Data: <0h&#205; &#130;           > 30 68 CD 88 82 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028288CD6830, 992 bytes long.
 Data: <  &#205; &#130;   P &#205; &#130;   > 20 19 CD 88 82 02 00 00 50 06 CD 88 82 02 00 00 
{90} normal block at 0x0000028288CD0230, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000028288CD1600, 16 bytes long.
 Data: < &#210;&#203; &#130;           > 90 D2 CB 88 82 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000028288CBD290, 40 bytes long.
 Data: <  &#205; &#130;   0 &#205; &#130;   > 00 16 CD 88 82 02 00 00 30 02 CD 88 82 02 00 00 
{67} normal block at 0x0000028288CD1F60, 16 bytes long.
 Data: < &#234; #&#246;           > 80 EA 01 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028288CD1AB0, 16 bytes long.
 Data: <@&#233; #&#246;           > 40 E9 01 23 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028288CD1060, 16 bytes long.
 Data: <&#248;W&#254;"&#246;           > F8 57 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028288CD1BF0, 16 bytes long.
 Data: <&#216;W&#254;"&#246;           > D8 57 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028288CD1240, 16 bytes long.
 Data: <P &#254;"&#246;           > 50 04 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028288CD1380, 16 bytes long.
 Data: <0 &#254;"&#246;           > 30 04 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028288CD1BA0, 16 bytes long.
 Data: <&#224; &#254;"&#246;           > E0 02 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028288CD1290, 16 bytes long.
 Data: <  &#254;"&#246;           > 10 04 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028288CD1150, 16 bytes long.
 Data: <p &#254;"&#246;           > 70 04 FE 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028288CD19C0, 16 bytes long.
 Data: < &#192;&#252;"&#246;           > 18 C0 FC 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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