Task 38670647

Name test_869-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND4179_0
Workunit 31612882
Created 25 Oct 2026, 18:10:12 UTC
Sent 25 Oct 2026, 18:10:14 UTC
Report deadline 30 Oct 2026, 18:10:14 UTC
Received 26 Oct 2026, 15:43:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652765
Run time 1 hours 10 min 23 sec
CPU time 1 hours 7 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.44 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.05 MB
Peak swap size 12.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:35:12 (6320): wrapper (7.9.26016): starting
15:35:12 (6320): 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
15:35:15 (6320): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:35:15 (6320): 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\0\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\0\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
16:42:37 (6320): C:/Windows/system32/cmd.exe exited; CPU time 4074.187500
16:42:37 (6320): 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: 48406803 bytes.
Dumping objects ->
{3835186} normal block at 0x000001906D854870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001906D8549C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000001906D854950, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x000001906D854640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x000001906D854800, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x000001906F645BF0, 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) : {3835098} normal block at 0x000001906D84F650, 8 bytes long.
 Data: <   m    > 00 00 80 6D 90 01 00 00 
{3833951} normal block at 0x000001906D84FEC0, 8 bytes long.
 Data: <0Bjo    > 30 42 6A 6F 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001906D850070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001906D83E8C0, 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 0x000001906D855F80, 16 bytes long.
 Data: <&#248;R&#133;m            > F8 52 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001906D855A80, 16 bytes long.
 Data: <&#208;R&#133;m            > D0 52 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001906D84ED10, 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 0x000001906D855AD0, 16 bytes long.
 Data: <&#168;R&#133;m            > A8 52 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001906D8555D0, 16 bytes long.
 Data: < R&#133;m            > 80 52 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001906D856110, 16 bytes long.
 Data: <XR&#133;m            > 58 52 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001906D855760, 16 bytes long.
 Data: <0R&#133;m            > 30 52 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001906D8546B0, 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 0x000001906D855D00, 16 bytes long.
 Data: <&#248; &#132;m            > F8 00 84 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001906D84EE90, 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 0x000001906D8558A0, 16 bytes long.
 Data: <&#208; &#132;m            > D0 00 84 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001906D856250, 16 bytes long.
 Data: <&#168; &#132;m            > A8 00 84 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001906D856160, 16 bytes long.
 Data: <  &#132;m            > 80 00 84 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001906D855710, 16 bytes long.
 Data: <X &#132;m            > 58 00 84 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001906D855EE0, 16 bytes long.
 Data: <0 &#132;m            > 30 00 84 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001906D8554E0, 16 bytes long.
 Data: <  &#132;m            > 08 00 84 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001906D84E770, 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 0x000001906D855C10, 16 bytes long.
 Data: <&#224;&#255;&#131;m            > E0 FF 83 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001906D83FFE0, 320 bytes long.
 Data: < \&#133;m    p&#231;&#132;m    > 10 5C 85 6D 90 01 00 00 70 E7 84 6D 90 01 00 00 
{271} normal block at 0x000001906D8559E0, 16 bytes long.
 Data: < R&#133;m            > 10 52 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001906D855490, 16 bytes long.
 Data: <&#232;Q&#133;m            > E8 51 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001906D84ECB0, 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 0x000001906D855BC0, 16 bytes long.
 Data: <&#192;Q&#133;m            > C0 51 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001906D84EAD0, 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 0x000001906D855A30, 16 bytes long.
 Data: < Q&#133;m            > 08 51 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001906D855B70, 16 bytes long.
 Data: <&#224;P&#133;m            > E0 50 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001906D855850, 16 bytes long.
 Data: <&#184;P&#133;m            > B8 50 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001906D84F510, 16 bytes long.
 Data: < P&#133;m            > 90 50 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001906D84F420, 16 bytes long.
 Data: <hP&#133;m            > 68 50 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001906D84F2E0, 16 bytes long.
 Data: <@P&#133;m            > 40 50 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001906D84F290, 16 bytes long.
 Data: <&#160;J&#133;m            > A0 4A 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001906D854AA0, 40 bytes long.
 Data: < &#242;&#132;m    &#240;[do    > 90 F2 84 6D 90 01 00 00 F0 5B 64 6F 90 01 00 00 
{257} normal block at 0x000001906D84F4C0, 16 bytes long.
 Data: < P&#133;m            > 20 50 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001906D84FF60, 16 bytes long.
 Data: <&#248;O&#133;m            > F8 4F 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001906D84E6B0, 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 0x000001906D84FF10, 16 bytes long.
 Data: <&#208;O&#133;m            > D0 4F 85 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001906D854FD0, 992 bytes long.
 Data: < &#255;&#132;m    &#176;&#230;&#132;m    > 10 FF 84 6D 90 01 00 00 B0 E6 84 6D 90 01 00 00 
{89} normal block at 0x000001906D84EB90, 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 0x000001906D84FE70, 16 bytes long.
 Data: <&#160;&#192;&#131;m            > A0 C0 83 6D 90 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001906D83C0A0, 40 bytes long.
 Data: <p&#254;&#132;m     &#235;&#132;m    > 70 FE 84 6D 90 01 00 00 90 EB 84 6D 90 01 00 00 
{66} normal block at 0x000001906D84F560, 16 bytes long.
 Data: < &#234;&#171;&#175;&#247;           > 80 EA AB AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001906D84F830, 16 bytes long.
 Data: <@&#233;&#171;&#175;&#247;           > 40 E9 AB AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001906D84FD80, 16 bytes long.
 Data: <&#248;W&#168;&#175;&#247;           > F8 57 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001906D84FD30, 16 bytes long.
 Data: <&#216;W&#168;&#175;&#247;           > D8 57 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001906D84FB50, 16 bytes long.
 Data: <P &#168;&#175;&#247;           > 50 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001906D84F1F0, 16 bytes long.
 Data: <0 &#168;&#175;&#247;           > 30 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001906D84FC90, 16 bytes long.
 Data: <&#224; &#168;&#175;&#247;           > E0 02 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001906D84F600, 16 bytes long.
 Data: <  &#168;&#175;&#247;           > 10 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001906D84FC40, 16 bytes long.
 Data: <p &#168;&#175;&#247;           > 70 04 A8 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001906D84F330, 16 bytes long.
 Data: < &#192;&#166;&#175;&#247;           > 18 C0 A6 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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