Task 38678535

Name test_820-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8330_0
Workunit 31620350
Created 26 Oct 2026, 17:43:40 UTC
Sent 26 Oct 2026, 17:43:48 UTC
Report deadline 31 Oct 2026, 17:43:48 UTC
Received 26 Oct 2026, 18:18:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 27 sec
CPU time 16 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.81 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:01:41 (17864): wrapper (7.9.26016): starting
19:01:41 (17864): 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
19:01:42 (17864): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:01:42 (17864): 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\3\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\3\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
19:18:28 (17864): C:/Windows/system32/cmd.exe exited; CPU time 1002.203125
19:18:28 (17864): 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: 16596843 bytes.
Dumping objects ->
{3835018} normal block at 0x000001B34528BE20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x000001B34528BF70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x000001B34528B560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x000001B34528BB10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x000001B345265EA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x000001B346FE7A70, 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) : {3834930} normal block at 0x000001B34525EA90, 8 bytes long.
 Data: <  #E&#179;   > 00 00 23 45 B3 01 00 00 
{3833961} normal block at 0x000001B34525F080, 8 bytes long.
 Data: <PG G&#179;   > 50 47 04 47 B3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B345262DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B3452580F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B345267010, 16 bytes long.
 Data: < }&E&#179;           > 08 7D 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B345267100, 16 bytes long.
 Data: <&#224;|&E&#179;           > E0 7C 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B345260AA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B345266F20, 16 bytes long.
 Data: <&#184;|&E&#179;           > B8 7C 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B3452677E0, 16 bytes long.
 Data: < |&E&#179;           > 90 7C 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B345266E80, 16 bytes long.
 Data: <h|&E&#179;           > 68 7C 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B345267740, 16 bytes long.
 Data: <@|&E&#179;           > 40 7C 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B3452664C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B345266DE0, 16 bytes long.
 Data: <&#248; %E&#179;           > F8 02 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B345260CE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B345266D90, 16 bytes long.
 Data: <&#208; %E&#179;           > D0 02 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B3452676F0, 16 bytes long.
 Data: <&#168; %E&#179;           > A8 02 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B3452672E0, 16 bytes long.
 Data: <  %E&#179;           > 80 02 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B345267830, 16 bytes long.
 Data: <X %E&#179;           > 58 02 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B3452671F0, 16 bytes long.
 Data: <0 %E&#179;           > 30 02 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B345266D40, 16 bytes long.
 Data: <  %E&#179;           > 08 02 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B345260680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B3452676A0, 16 bytes long.
 Data: <&#224; %E&#179;           > E0 01 25 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B3452501E0, 320 bytes long.
 Data: <&#160;v&E&#179;     &E&#179;   > A0 76 26 45 B3 01 00 00 80 06 26 45 B3 01 00 00 
{276} normal block at 0x000001B345267600, 16 bytes long.
 Data: < |&E&#179;           > 20 7C 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B3452670B0, 16 bytes long.
 Data: <&#248;{&E&#179;           > F8 7B 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B345260560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B345266F70, 16 bytes long.
 Data: <&#208;{&E&#179;           > D0 7B 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B345260BC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B345266CF0, 16 bytes long.
 Data: < {&E&#179;           > 18 7B 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B345266C50, 16 bytes long.
 Data: <&#240;z&E&#179;           > F0 7A 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B345267790, 16 bytes long.
 Data: <&#200;z&E&#179;           > C8 7A 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B345266C00, 16 bytes long.
 Data: <&#160;z&E&#179;           > A0 7A 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B345267560, 16 bytes long.
 Data: <xz&E&#179;           > 78 7A 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B345267880, 16 bytes long.
 Data: <Pz&E&#179;           > 50 7A 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B345267920, 16 bytes long.
 Data: <&#224;c&E&#179;           > E0 63 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B3452663E0, 40 bytes long.
 Data: < y&E&#179;   pz&#254;F&#179;   > 20 79 26 45 B3 01 00 00 70 7A FE 46 B3 01 00 00 
{262} normal block at 0x000001B345267650, 16 bytes long.
 Data: <0z&E&#179;           > 30 7A 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B345267150, 16 bytes long.
 Data: < z&E&#179;           > 08 7A 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B345260320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B345266CA0, 16 bytes long.
 Data: <&#224;y&E&#179;           > E0 79 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B3452679E0, 992 bytes long.
 Data: <&#160;l&E&#179;     &E&#179;   > A0 6C 26 45 B3 01 00 00 20 03 26 45 B3 01 00 00 
{94} normal block at 0x000001B345261100, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B34525F670, 16 bytes long.
 Data: <@a&E&#179;           > 40 61 26 45 B3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B345266140, 40 bytes long.
 Data: <p&#246;%E&#179;     &E&#179;   > 70 F6 25 45 B3 01 00 00 00 11 26 45 B3 01 00 00 
{71} normal block at 0x000001B34525F3F0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B34525E9A0, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B34525F120, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B34525E950, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B34525F4E0, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B34525E9F0, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B34525EFE0, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B34525F6C0, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B34525F3A0, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B34525EF90, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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