Task 38659804

Name test_1711-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND9686_0
Workunit 31603342
Created 24 Oct 2026, 13:37:31 UTC
Sent 24 Oct 2026, 16:24:35 UTC
Report deadline 29 Oct 2026, 16:24:35 UTC
Received 24 Oct 2026, 18:32:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592498
Run time 33 min 47 sec
CPU time 26 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.12 MB
Peak swap size 8.28 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:01:23 (33600): wrapper (7.9.26016): starting
11:01:23 (33600): 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
11:01:25 (33600): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:01:25 (33600): 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\11\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\11\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
11:32:52 (33600): C:/Windows/system32/cmd.exe exited; CPU time 1577.546875
11:32:52 (33600): 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: 42712901 bytes.
Dumping objects ->
{3847260} normal block at 0x0000014DD51DFA50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3847249} normal block at 0x0000014DD51DF900, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3847238} normal block at 0x0000014DD51DF890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3847227} normal block at 0x0000014DD51DF740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3847216} normal block at 0x0000014DD51DF6D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3847185} normal block at 0x0000014DD8869C20, 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) : {3847171} normal block at 0x0000014DD51DC540, 8 bytes long.
 Data: <  &#223;&#214;M   > 00 00 DF D6 4D 01 00 00 
{3846013} normal block at 0x0000014DD51DC220, 8 bytes long.
 Data: <p  &#216;M   > 70 01 8D D8 4D 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000014DD51CCC90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014DD51C6AF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000014DD51DC180, 16 bytes long.
 Data: <&#216;  &#213;M           > D8 03 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000014DD51DBDC0, 16 bytes long.
 Data: <&#176;  &#213;M           > B0 03 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014DD51D08C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000014DD51DBD70, 16 bytes long.
 Data: <   &#213;M           > 88 03 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014DD51DBD20, 16 bytes long.
 Data: <`  &#213;M           > 60 03 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014DD51DBB40, 16 bytes long.
 Data: <8  &#213;M           > 38 03 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014DD51DBAA0, 16 bytes long.
 Data: <   &#213;M           > 10 03 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014DD51DF7B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000014DD51DBA00, 16 bytes long.
 Data: <&#232;&#253; &#213;M           > E8 FD 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014DD51D05C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000014DD51DB9B0, 16 bytes long.
 Data: <&#192;&#253; &#213;M           > C0 FD 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014DD51DBC30, 16 bytes long.
 Data: < &#253; &#213;M           > 98 FD 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014DD51DBF00, 16 bytes long.
 Data: <p&#253; &#213;M           > 70 FD 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014DD51DC130, 16 bytes long.
 Data: <H&#253; &#213;M           > 48 FD 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014DD51DB960, 16 bytes long.
 Data: < &#253; &#213;M           > 20 FD 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000014DD51DB6E0, 16 bytes long.
 Data: <&#248;&#252; &#213;M           > F8 FC 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014DD51D01A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000014DD51DB690, 16 bytes long.
 Data: <&#208;&#252; &#213;M           > D0 FC 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014DD51DFCD0, 320 bytes long.
 Data: < &#182; &#213;M   &#160;  &#213;M   > 90 B6 1D D5 4D 01 00 00 A0 01 1D D5 4D 01 00 00 
{269} normal block at 0x0000014DD51DB640, 16 bytes long.
 Data: <&#240;  &#213;M           > F0 02 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014DD51DB910, 16 bytes long.
 Data: <&#200;  &#213;M           > C8 02 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014DD51D0260, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000014DD51DBAF0, 16 bytes long.
 Data: <&#160;  &#213;M           > A0 02 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014DD51D0800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000014DD51DC450, 16 bytes long.
 Data: <&#232;  &#213;M           > E8 01 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014DD51DB870, 16 bytes long.
 Data: <&#192;  &#213;M           > C0 01 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014DD51DC3B0, 16 bytes long.
 Data: <   &#213;M           > 98 01 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014DD51DBA50, 16 bytes long.
 Data: <p  &#213;M           > 70 01 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014DD51DB7D0, 16 bytes long.
 Data: <H  &#213;M           > 48 01 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000014DD51DC2C0, 16 bytes long.
 Data: <   &#213;M           > 20 01 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000014DD51DC400, 16 bytes long.
 Data: <&#240;&#245; &#213;M           > F0 F5 1D D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000014DD51DF5F0, 40 bytes long.
 Data: < &#196; &#213;M    &#156;&#134;&#216;M   > 00 C4 1D D5 4D 01 00 00 20 9C 86 D8 4D 01 00 00 
{255} normal block at 0x0000014DD51DC270, 16 bytes long.
 Data: <   &#213;M           > 00 01 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000014DD51DB730, 16 bytes long.
 Data: <&#216;  &#213;M           > D8 00 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000014DD51D0680, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000014DD51DBBE0, 16 bytes long.
 Data: <&#176;  &#213;M           > B0 00 1E D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000014DD51E00B0, 992 bytes long.
 Data: <&#224;&#187; &#213;M      &#213;M   > E0 BB 1D D5 4D 01 00 00 80 06 1D D5 4D 01 00 00 
{87} normal block at 0x0000014DD51D0200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000014DD51DC0E0, 16 bytes long.
 Data: <`&#158; &#213;M           > 60 9E 1C D5 4D 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000014DD51C9E60, 40 bytes long.
 Data: <&#224;&#192; &#213;M      &#213;M   > E0 C0 1D D5 4D 01 00 00 00 02 1D D5 4D 01 00 00 
{64} normal block at 0x0000014DD51DBC80, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 05 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014DD51DBFA0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 05 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014DD51DBB90, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000014DD51D1830, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000014DD51D17E0, 16 bytes long.
 Data: <P   &#246;           > 50 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000014DD51D1600, 16 bytes long.
 Data: <0   &#246;           > 30 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000014DD51D16F0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000014DD51D1790, 16 bytes long.
 Data: <    &#246;           > 10 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000014DD51D15B0, 16 bytes long.
 Data: <p   &#246;           > 70 04 02 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000014DD51D0B60, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 00 18 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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