Task 38682293

Name test_308-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3323_0
Workunit 31623914
Created 27 Oct 2026, 7:15:11 UTC
Sent 27 Oct 2026, 7:15:16 UTC
Report deadline 1 Nov 2026, 7:15:16 UTC
Received 27 Oct 2026, 7:51:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 21 min 44 sec
CPU time 20 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.29 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:30:01 (52304): wrapper (7.9.26016): starting
00:30:01 (52304): 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
00:30:02 (52304): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:30:02 (52304): 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
00:50:53 (52304): C:/Windows/system32/cmd.exe exited; CPU time 1234.156250
00:50:53 (52304): 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: 23369523 bytes.
Dumping objects ->
{3835219} normal block at 0x0000017E1B3E5180, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000017E1B3E50A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000017E1B3E4F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000017E1B3E4E70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000017E1B3E51F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000017E1D195470, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000017E1B42FB00, 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) : {3835130} normal block at 0x0000017E1B3DD850, 8 bytes long.
 Data: <  &#253; ~   > 00 00 FD 1C 7E 01 00 00 
{3834533} normal block at 0x0000017E1B42F550, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000017E1B3DD990, 8 bytes long.
 Data: <0 K ~   > 30 03 4B 1B 7E 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000017E1B3E15B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017E1B3CECD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000017E1B3E5C00, 16 bytes long.
 Data: <&#232;i> ~           > E8 69 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017E1B3E5FC0, 16 bytes long.
 Data: <&#192;i> ~           > C0 69 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017E1B3DFDE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000017E1B3E6290, 16 bytes long.
 Data: < i> ~           > 98 69 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017E1B3E6330, 16 bytes long.
 Data: <pi> ~           > 70 69 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017E1B3E61F0, 16 bytes long.
 Data: <Hi> ~           > 48 69 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017E1B3E6560, 16 bytes long.
 Data: < i> ~           > 20 69 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017E1B3E4BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000017E1B3E5F70, 16 bytes long.
 Data: <x = ~           > 78 05 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017E1B3DF060, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000017E1B3E5BB0, 16 bytes long.
 Data: <P = ~           > 50 05 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017E1B3E5D40, 16 bytes long.
 Data: <( = ~           > 28 05 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017E1B3E6420, 16 bytes long.
 Data: <  = ~           > 00 05 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017E1B3E57A0, 16 bytes long.
 Data: <&#216; = ~           > D8 04 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017E1B3E58E0, 16 bytes long.
 Data: <&#176; = ~           > B0 04 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017E1B3E6240, 16 bytes long.
 Data: <  = ~           > 88 04 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017E1B3DF8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000017E1B3E6380, 16 bytes long.
 Data: <` = ~           > 60 04 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017E1B3D0460, 320 bytes long.
 Data: < c> ~   &#160;&#248;= ~   > 80 63 3E 1B 7E 01 00 00 A0 F8 3D 1B 7E 01 00 00 
{271} normal block at 0x0000017E1B3E6650, 16 bytes long.
 Data: < i> ~           > 00 69 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017E1B3E6100, 16 bytes long.
 Data: <&#216;h> ~           > D8 68 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017E1B3DF300, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000017E1B3E5AC0, 16 bytes long.
 Data: <&#176;h> ~           > B0 68 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017E1B3DF540, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000017E1B3E6060, 16 bytes long.
 Data: <&#248;g> ~           > F8 67 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017E1B3E60B0, 16 bytes long.
 Data: <&#208;g> ~           > D0 67 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017E1B3E65B0, 16 bytes long.
 Data: <&#168;g> ~           > A8 67 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017E1B3E6470, 16 bytes long.
 Data: < g> ~           > 80 67 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017E1B3E5B10, 16 bytes long.
 Data: <Xg> ~           > 58 67 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017E1B3E61A0, 16 bytes long.
 Data: <0g> ~           > 30 67 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017E1B3E5E80, 16 bytes long.
 Data: <&#192;O> ~           > C0 4F 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017E1B3E4FC0, 40 bytes long.
 Data: < ^> ~   pT  ~   > 80 5E 3E 1B 7E 01 00 00 70 54 19 1D 7E 01 00 00 
{257} normal block at 0x0000017E1B3E5B60, 16 bytes long.
 Data: < g> ~           > 10 67 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017E1B3E6150, 16 bytes long.
 Data: <&#232;f> ~           > E8 66 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017E1B3DFD80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000017E1B3E6510, 16 bytes long.
 Data: <&#192;f> ~           > C0 66 3E 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017E1B3E66C0, 992 bytes long.
 Data: < e> ~    &#253;= ~   > 10 65 3E 1B 7E 01 00 00 80 FD 3D 1B 7E 01 00 00 
{89} normal block at 0x0000017E1B3DFCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000017E1B3DD5D0, 16 bytes long.
 Data: <&#160; = ~           > A0 01 3D 1B 7E 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000017E1B3D01A0, 40 bytes long.
 Data: <&#208;&#213;= ~   &#192;&#252;= ~   > D0 D5 3D 1B 7E 01 00 00 C0 FC 3D 1B 7E 01 00 00 
{66} normal block at 0x0000017E1B3DDCB0, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017E1B3DDB20, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017E1B3DDBC0, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017E1B3DD620, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017E1B3DD300, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017E1B3DD7B0, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017E1B3DDA80, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017E1B3DD6C0, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017E1B3DDFD0, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017E1B3DE110, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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