Task 38686394

Name test_680-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3546_0
Workunit 31627827
Created 28 Oct 2026, 2:15:47 UTC
Sent 28 Oct 2026, 2:15:52 UTC
Report deadline 2 Nov 2026, 2:15:52 UTC
Received 28 Oct 2026, 3:20:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629402
Run time 21 min 17 sec
CPU time 19 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,621.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.92 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:59:12 (52804): wrapper (7.9.26016): starting
21:59:12 (52804): 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
21:59:13 (52804): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:59:13 (52804): 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\31\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\31\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
22:19:43 (52804): C:/Windows/system32/cmd.exe exited; CPU time 1178.234375
22:19:43 (52804): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22091361 bytes.
Dumping objects ->
{3835311} normal block at 0x000001EF01C9DA40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001EF01C9D650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001EF01C9DAB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001EF7FEE4B70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001EF7FEE4D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001EF01CE8F50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001EF01CFE9A0, 102 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) : {3835222} normal block at 0x000001EF7FEE0E30, 8 bytes long.
 Data: <  ; &#239;   > 00 00 3B 00 EF 01 00 00 
{3834575} normal block at 0x000001EF01CFF130, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001EF7FEE09D0, 8 bytes long.
 Data: <PB&#212; &#239;   > 50 42 D4 01 EF 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001EF7FED6C60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EF7FED7980, 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 0x000001EF7FEE5F60, 16 bytes long.
 Data: <&#248;U&#238; &#239;           > F8 55 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EF7FEE6460, 16 bytes long.
 Data: <&#208;U&#238; &#239;           > D0 55 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EF7FEDFF00, 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 0x000001EF7FEE63C0, 16 bytes long.
 Data: <&#168;U&#238; &#239;           > A8 55 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EF7FEE6230, 16 bytes long.
 Data: < U&#238; &#239;           > 80 55 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EF7FEE6500, 16 bytes long.
 Data: <XU&#238; &#239;           > 58 55 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EF7FEE5880, 16 bytes long.
 Data: <0U&#238; &#239;           > 30 55 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EF7FEE4A20, 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 0x000001EF7FEE64B0, 16 bytes long.
 Data: <&#248;&#184;&#236; &#239;           > F8 B8 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF7FEDF900, 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 0x000001EF7FEE5C40, 16 bytes long.
 Data: <&#208;&#184;&#236; &#239;           > D0 B8 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EF7FEE5BA0, 16 bytes long.
 Data: <&#168;&#184;&#236; &#239;           > A8 B8 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EF7FEE6320, 16 bytes long.
 Data: < &#184;&#236; &#239;           > 80 B8 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EF7FEE5FB0, 16 bytes long.
 Data: <X&#184;&#236; &#239;           > 58 B8 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EF7FEE6370, 16 bytes long.
 Data: <0&#184;&#236; &#239;           > 30 B8 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EF7FEE6140, 16 bytes long.
 Data: < &#184;&#236; &#239;           > 08 B8 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF7FEDF8A0, 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 0x000001EF7FEE5A60, 16 bytes long.
 Data: <&#224;&#183;&#236; &#239;           > E0 B7 EC 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EF7FECB7E0, 320 bytes long.
 Data: <`Z&#238; &#239;   &#160;&#248;&#237; &#239;   > 60 5A EE 7F EF 01 00 00 A0 F8 ED 7F EF 01 00 00 
{276} normal block at 0x000001EF7FEE65A0, 16 bytes long.
 Data: < U&#238; &#239;           > 10 55 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF7FEE6640, 16 bytes long.
 Data: <&#232;T&#238; &#239;           > E8 54 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EF7FEE0680, 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 0x000001EF7FEE58D0, 16 bytes long.
 Data: <&#192;T&#238; &#239;           > C0 54 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EF7FEDF840, 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 0x000001EF7FEE5740, 16 bytes long.
 Data: < T&#238; &#239;           > 08 54 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EF7FEE5B50, 16 bytes long.
 Data: <&#224;S&#238; &#239;           > E0 53 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EF7FEE62D0, 16 bytes long.
 Data: <&#184;S&#238; &#239;           > B8 53 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EF7FEE6410, 16 bytes long.
 Data: < S&#238; &#239;           > 90 53 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EF7FEE57E0, 16 bytes long.
 Data: <hS&#238; &#239;           > 68 53 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EF7FEE16F0, 16 bytes long.
 Data: <@S&#238; &#239;           > 40 53 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EF7FEE0BB0, 16 bytes long.
 Data: <&#192;L&#238; &#239;           > C0 4C EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EF7FEE4CC0, 40 bytes long.
 Data: <&#176; &#238; &#239;   P &#206; &#239;   > B0 0B EE 7F EF 01 00 00 50 8F CE 01 EF 01 00 00 
{262} normal block at 0x000001EF7FEE0930, 16 bytes long.
 Data: < S&#238; &#239;           > 20 53 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EF7FEE0B10, 16 bytes long.
 Data: <&#248;R&#238; &#239;           > F8 52 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EF7FEDF9C0, 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 0x000001EF7FEE1100, 16 bytes long.
 Data: <&#208;R&#238; &#239;           > D0 52 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EF7FEE52D0, 992 bytes long.
 Data: <  &#238; &#239;   &#192;&#249;&#237; &#239;   > 00 11 EE 7F EF 01 00 00 C0 F9 ED 7F EF 01 00 00 
{94} normal block at 0x000001EF7FEE01A0, 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 0x000001EF7FEE1650, 16 bytes long.
 Data: < G&#238; &#239;           > 10 47 EE 7F EF 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001EF7FEE4710, 40 bytes long.
 Data: <P &#238; &#239;   &#160; &#238; &#239;   > 50 16 EE 7F EF 01 00 00 A0 01 EE 7F EF 01 00 00 
{71} normal block at 0x000001EF7FEE0F20, 16 bytes long.
 Data: < &#234;A@&#247;           > 80 EA 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EF7FEE1010, 16 bytes long.
 Data: <@&#233;A@&#247;           > 40 E9 41 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EF7FEE10B0, 16 bytes long.
 Data: <&#248;W>@&#247;           > F8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EF7FEE12E0, 16 bytes long.
 Data: <&#216;W>@&#247;           > D8 57 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EF7FEE0890, 16 bytes long.
 Data: <P >@&#247;           > 50 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EF7FEE1240, 16 bytes long.
 Data: <0 >@&#247;           > 30 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EF7FEE0E80, 16 bytes long.
 Data: <&#224; >@&#247;           > E0 02 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EF7FEE0F70, 16 bytes long.
 Data: <  >@&#247;           > 10 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EF7FEE11F0, 16 bytes long.
 Data: <p >@&#247;           > 70 04 3E 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EF7FEE0CA0, 16 bytes long.
 Data: < &#192;<@&#247;           > 18 C0 3C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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