Task 38681483

Name test_796-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8183_0
Workunit 31623147
Created 27 Oct 2026, 4:10:21 UTC
Sent 27 Oct 2026, 4:10:28 UTC
Report deadline 1 Nov 2026, 4:10:28 UTC
Received 27 Oct 2026, 4:39:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 6 sec
CPU time 26 min 39 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 646.44 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:11:41 (8748): wrapper (7.9.26016): starting
05:11:41 (8748): 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
05:11:42 (8748): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:11:42 (8748): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
05:38:45 (8748): C:/Windows/system32/cmd.exe exited; CPU time 1599.203125
05:38:45 (8748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19778883 bytes.
Dumping objects ->
{3835241} normal block at 0x00000264DFDD1040, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x00000264DFDD0CC0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x00000264DFDD1740, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x00000264DFDD0C50, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x00000264DFDD0EF0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x00000264DFE7C220, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x00000264DFDD41C0, 160 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) : {3835152} normal block at 0x00000264DE456FD0, 8 bytes long.
 Data: <  @&#222;d   > 00 00 40 DE 64 02 00 00 
{3834548} normal block at 0x00000264DFDD4D20, 160 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 0x00000264DE457480, 8 bytes long.
 Data: < V&#221;&#223;d   > 80 56 DD DF 64 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000264DE461C40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000264DE446300, 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 0x00000264DE462C80, 16 bytes long.
 Data: <8AF&#222;d           > 38 41 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000264DE462F00, 16 bytes long.
 Data: < AF&#222;d           > 10 41 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000264DE45B9F0, 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 0x00000264DE463860, 16 bytes long.
 Data: <&#232;@F&#222;d           > E8 40 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000264DE462EB0, 16 bytes long.
 Data: <&#192;@F&#222;d           > C0 40 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000264DE462B40, 16 bytes long.
 Data: < @F&#222;d           > 98 40 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000264DE462D70, 16 bytes long.
 Data: <p@F&#222;d           > 70 40 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000264DE45DD20, 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 0x00000264DE463770, 16 bytes long.
 Data: < bD&#222;d           > 98 62 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000264DE45C8F0, 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 0x00000264DE463720, 16 bytes long.
 Data: <pbD&#222;d           > 70 62 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000264DE462AF0, 16 bytes long.
 Data: <HbD&#222;d           > 48 62 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000264DE462C30, 16 bytes long.
 Data: < bD&#222;d           > 20 62 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000264DE462AA0, 16 bytes long.
 Data: <&#248;aD&#222;d           > F8 61 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000264DE463680, 16 bytes long.
 Data: <&#208;aD&#222;d           > D0 61 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000264DE462FF0, 16 bytes long.
 Data: <&#168;aD&#222;d           > A8 61 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000264DE45C6B0, 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 0x00000264DE462E60, 16 bytes long.
 Data: < aD&#222;d           > 80 61 44 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000264DE446180, 320 bytes long.
 Data: <`.F&#222;d   &#176;&#198;E&#222;d   > 60 2E 46 DE 64 02 00 00 B0 C6 45 DE 64 02 00 00 
{271} normal block at 0x00000264DE463950, 16 bytes long.
 Data: <P@F&#222;d           > 50 40 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000264DE4635E0, 16 bytes long.
 Data: <(@F&#222;d           > 28 40 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000264DE45BD50, 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 0x00000264DE463040, 16 bytes long.
 Data: < @F&#222;d           > 00 40 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000264DE45C590, 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 0x00000264DE4639A0, 16 bytes long.
 Data: <H?F&#222;d           > 48 3F 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000264DE463900, 16 bytes long.
 Data: < ?F&#222;d           > 20 3F 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000264DE462BE0, 16 bytes long.
 Data: <&#248;>F&#222;d           > F8 3E 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000264DE4632C0, 16 bytes long.
 Data: <&#208;>F&#222;d           > D0 3E 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000264DE462E10, 16 bytes long.
 Data: <&#168;>F&#222;d           > A8 3E 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000264DE463590, 16 bytes long.
 Data: < >F&#222;d           > 80 3E 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000264DE4634F0, 16 bytes long.
 Data: < &#225;E&#222;d           > 10 E1 45 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000264DE45E110, 40 bytes long.
 Data: <&#240;4F&#222;d    &#194;&#231;&#223;d   > F0 34 46 DE 64 02 00 00 20 C2 E7 DF 64 02 00 00 
{257} normal block at 0x00000264DE4630E0, 16 bytes long.
 Data: <`>F&#222;d           > 60 3E 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000264DE4636D0, 16 bytes long.
 Data: <8>F&#222;d           > 38 3E 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000264DE45C2F0, 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 0x00000264DE463400, 16 bytes long.
 Data: < >F&#222;d           > 10 3E 46 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000264DE463E10, 992 bytes long.
 Data: < 4F&#222;d   &#240;&#194;E&#222;d   > 00 34 46 DE 64 02 00 00 F0 C2 45 DE 64 02 00 00 
{89} normal block at 0x00000264DE45C470, 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 0x00000264DE457020, 16 bytes long.
 Data: < &#222;E&#222;d           > 00 DE 45 DE 64 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000264DE45DE00, 40 bytes long.
 Data: < pE&#222;d   p&#196;E&#222;d   > 20 70 45 DE 64 02 00 00 70 C4 45 DE 64 02 00 00 
{66} normal block at 0x00000264DE4571B0, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000264DE457840, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000264DE457980, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000264DE457B10, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000264DE457AC0, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000264DE457660, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000264DE456D00, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000264DE456CB0, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000264DE457BB0, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000264DE457890, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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