Task 38683455

Name test_932-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1145_0
Workunit 31625010
Created 27 Oct 2026, 11:52:37 UTC
Sent 27 Oct 2026, 11:52:44 UTC
Report deadline 1 Nov 2026, 11:52:44 UTC
Received 27 Oct 2026, 13:55:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627984
Run time 37 min 10 sec
CPU time 37 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,104.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.93 MB
Peak swap size 14.33 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:17:02 (12460): wrapper (7.9.26016): starting
15:17:02 (12460): 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
15:17:05 (12460): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:17:05 (12460): 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\21\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\21\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
15:55:07 (12460): C:/Windows/system32/cmd.exe exited; CPU time 2230.421875
15:55:07 (12460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 50293221 bytes.
Dumping objects ->
{3835234} normal block at 0x0000016E69BB1910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000016E69BB18A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000016E69BB1830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000016E69BB1C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000016E69BB1BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000016E69CA5330, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000016E67D9CDC0, 180 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) : {3835145} normal block at 0x0000016E67D71FA0, 8 bytes long.
 Data: <  &#135;in   > 00 00 87 69 6E 01 00 00 
{3834543} normal block at 0x0000016E67D9C550, 180 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 0x0000016E67D71F00, 8 bytes long.
 Data: <&#192;&#232;&#228;gn   > C0 E8 E4 67 6E 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000016E67D72930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016E67D5ACF0, 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 0x0000016E67D68930, 16 bytes long.
 Data: <hK&#215;gn           > 68 4B D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016E67D69420, 16 bytes long.
 Data: <@K&#215;gn           > 40 4B D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016E67D6F200, 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 0x0000016E67D69240, 16 bytes long.
 Data: < K&#215;gn           > 18 4B D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016E67D691A0, 16 bytes long.
 Data: <&#240;J&#215;gn           > F0 4A D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016E67D68840, 16 bytes long.
 Data: <&#200;J&#215;gn           > C8 4A D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016E67D68CA0, 16 bytes long.
 Data: <&#160;J&#215;gn           > A0 4A D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016E67D6D940, 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 0x0000016E67D690B0, 16 bytes long.
 Data: <8&#216;&#213;gn           > 38 D8 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016E67D6E900, 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 0x0000016E67D68BB0, 16 bytes long.
 Data: < &#216;&#213;gn           > 10 D8 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016E67D691F0, 16 bytes long.
 Data: <&#232;&#215;&#213;gn           > E8 D7 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016E67D693D0, 16 bytes long.
 Data: <&#192;&#215;&#213;gn           > C0 D7 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016E67D69380, 16 bytes long.
 Data: < &#215;&#213;gn           > 98 D7 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016E67D71F50, 16 bytes long.
 Data: <p&#215;&#213;gn           > 70 D7 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016E67D71FF0, 16 bytes long.
 Data: <H&#215;&#213;gn           > 48 D7 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016E67D6F080, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000016E67D71E10, 16 bytes long.
 Data: < &#215;&#213;gn           > 20 D7 D5 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016E67D5D720, 320 bytes long.
 Data: <  &#215;gn   &#128;&#240;&#214;gn   > 10 1E D7 67 6E 01 00 00 80 F0 D6 67 6E 01 00 00 
{267} normal block at 0x0000016E67D71D70, 16 bytes long.
 Data: <&#128;J&#215;gn           > 80 4A D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016E67D71D20, 16 bytes long.
 Data: <XJ&#215;gn           > 58 4A D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016E67D6F2C0, 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 0x0000016E67D72360, 16 bytes long.
 Data: <0J&#215;gn           > 30 4A D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016E67D6F500, 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 0x0000016E67D72090, 16 bytes long.
 Data: <xI&#215;gn           > 78 49 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016E67D71CD0, 16 bytes long.
 Data: <PI&#215;gn           > 50 49 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016E67D71DC0, 16 bytes long.
 Data: <(I&#215;gn           > 28 49 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016E67D72310, 16 bytes long.
 Data: < I&#215;gn           > 00 49 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016E67D71C80, 16 bytes long.
 Data: <&#216;H&#215;gn           > D8 48 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016E67D71C30, 16 bytes long.
 Data: <&#176;H&#215;gn           > B0 48 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016E67D72040, 16 bytes long.
 Data: <&#192;&#213;&#214;gn           > C0 D5 D6 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016E67D6D5C0, 40 bytes long.
 Data: <@ &#215;gn   0S&#202;in   > 40 20 D7 67 6E 01 00 00 30 53 CA 69 6E 01 00 00 
{253} normal block at 0x0000016E67D71EB0, 16 bytes long.
 Data: <&#144;H&#215;gn           > 90 48 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000016E67D722C0, 16 bytes long.
 Data: <hH&#215;gn           > 68 48 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000016E67D6F560, 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 0x0000016E67D71E60, 16 bytes long.
 Data: <@H&#215;gn           > 40 48 D7 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000016E67D74840, 992 bytes long.
 Data: <` &#215;gn   `&#245;&#214;gn   > 60 1E D7 67 6E 01 00 00 60 F5 D6 67 6E 01 00 00 
{85} normal block at 0x0000016E67D6F0E0, 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 0x0000016E67D68980, 16 bytes long.
 Data: <&#224;&#212;&#214;gn           > E0 D4 D6 67 6E 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000016E67D6D4E0, 40 bytes long.
 Data: <&#128;&#137;&#214;gn   &#224;&#240;&#214;gn   > 80 89 D6 67 6E 01 00 00 E0 F0 D6 67 6E 01 00 00 
{62} normal block at 0x0000016E67D68DE0, 16 bytes long.
 Data: <&#128;&#234;&#210;~&#246;           > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016E67D68F20, 16 bytes long.
 Data: <@&#233;&#210;~&#246;           > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016E67D692E0, 16 bytes long.
 Data: <&#248;W&#207;~&#246;           > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016E67D68C00, 16 bytes long.
 Data: <&#216;W&#207;~&#246;           > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016E67D69510, 16 bytes long.
 Data: <P &#207;~&#246;           > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016E67D68D90, 16 bytes long.
 Data: <0 &#207;~&#246;           > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016E67D687A0, 16 bytes long.
 Data: <&#224; &#207;~&#246;           > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016E67D689D0, 16 bytes long.
 Data: <  &#207;~&#246;           > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000016E67D69600, 16 bytes long.
 Data: <p &#207;~&#246;           > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000016E67D694C0, 16 bytes long.
 Data: < &#192;&#205;~&#246;           > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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