Task 38680307

Name test_143-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND7187_0
Workunit 31622033
Created 26 Oct 2026, 23:31:32 UTC
Sent 26 Oct 2026, 23:31:34 UTC
Report deadline 31 Oct 2026, 23:31:34 UTC
Received 27 Oct 2026, 0:35:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631520
Run time 36 min 9 sec
CPU time 33 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,608.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.37 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:59:07 (23004): wrapper (7.9.26016): starting
08:59:07 (23004): 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
08:59:09 (23004): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:59:09 (23004): 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
09:33:54 (23004): C:/Windows/system32/cmd.exe exited; CPU time 2024.562500
09:33:54 (23004): 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: 37070945 bytes.
Dumping objects ->
{3835268} normal block at 0x000001FCFA88C3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000001FCF8874C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001FCF8874C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x000001FCF8874820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001FCF8874BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x000001FCFA8D3770, 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) : {3835180} normal block at 0x000001FCF88707D0, 8 bytes long.
 Data: <        > 00 00 E9 F8 FC 01 00 00 
{3834037} normal block at 0x000001FCF8870460, 8 bytes long.
 Data: <&#176; G     > B0 E3 47 FA FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FCF88664E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FCF8867800, 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 0x000001FCF8875840, 16 bytes long.
 Data: < d              > E8 64 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FCF8875890, 16 bytes long.
 Data: <&#192;d              > C0 64 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FCF886FAC0, 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 0x000001FCF8875520, 16 bytes long.
 Data: < d              > 98 64 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FCF8875250, 16 bytes long.
 Data: <pd              > 70 64 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FCF8875390, 16 bytes long.
 Data: <Hd              > 48 64 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FCF8875D40, 16 bytes long.
 Data: < d              > 20 64 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FCF8874890, 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 0x000001FCF8875CF0, 16 bytes long.
 Data: <                > 18 F0 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FCF886F9A0, 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 0x000001FCF88757F0, 16 bytes long.
 Data: <                > F0 EF 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FCF88752A0, 16 bytes long.
 Data: <&#200;               > C8 EF 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FCF8875E80, 16 bytes long.
 Data: <                > A0 EF 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FCF8875480, 16 bytes long.
 Data: <x               > 78 EF 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FCF8875700, 16 bytes long.
 Data: <P               > 50 EF 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FCF8875610, 16 bytes long.
 Data: <(               > 28 EF 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FCF886FB80, 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 0x000001FCF8875200, 16 bytes long.
 Data: <                > 00 EF 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FCF885EF00, 320 bytes long.
 Data: < R              > 00 52 87 F8 FC 01 00 00 80 FB 86 F8 FC 01 00 00 
{271} normal block at 0x000001FCF8875B60, 16 bytes long.
 Data: < d              > 00 64 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FCF88757A0, 16 bytes long.
 Data: <&#216;c              > D8 63 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FCF8870120, 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 0x000001FCF8876060, 16 bytes long.
 Data: <&#176;c              > B0 63 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FCF886F220, 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 0x000001FCF8875DE0, 16 bytes long.
 Data: < b              > F8 62 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FCF88753E0, 16 bytes long.
 Data: <&#208;b              > D0 62 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FCF88755C0, 16 bytes long.
 Data: <&#168;b              > A8 62 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FCF8875F70, 16 bytes long.
 Data: < b              > 80 62 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FCF8875B10, 16 bytes long.
 Data: <Xb              > 58 62 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FCF8875D90, 16 bytes long.
 Data: <0b              > 30 62 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FCF8875340, 16 bytes long.
 Data: < I              > 00 49 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FCF8874900, 40 bytes long.
 Data: <@S      p7      > 40 53 87 F8 FC 01 00 00 70 37 8D FA FC 01 00 00 
{257} normal block at 0x000001FCF8875C50, 16 bytes long.
 Data: < b              > 10 62 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FCF8875AC0, 16 bytes long.
 Data: < a              > E8 61 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FCF88700C0, 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 0x000001FCF88756B0, 16 bytes long.
 Data: <&#192;a              > C0 61 87 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FCF88761C0, 992 bytes long.
 Data: <&#176;V      &#192;       > B0 56 87 F8 FC 01 00 00 C0 00 87 F8 FC 01 00 00 
{89} normal block at 0x000001FCF886F7C0, 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 0x000001FCF8870E60, 16 bytes long.
 Data: <&#208;&#212;              > D0 D4 85 F8 FC 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001FCF885D4D0, 40 bytes long.
 Data: <`       &#192;       > 60 0E 87 F8 FC 01 00 00 C0 F7 86 F8 FC 01 00 00 
{64} normal block at 0x000001FCF8870690, 16 bytes long.
 Data: <  &#168;&#198;            > 80 EA A8 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FCF8870E10, 16 bytes long.
 Data: <@ &#168;&#198;            > 40 E9 A8 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FCF8870FF0, 16 bytes long.
 Data: < W&#165;&#198;            > F8 57 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FCF8870640, 16 bytes long.
 Data: <&#216;W&#165;&#198;            > D8 57 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FCF88710E0, 16 bytes long.
 Data: <P &#165;&#198;            > 50 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FCF8870730, 16 bytes long.
 Data: <0 &#165;&#198;            > 30 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FCF8870FA0, 16 bytes long.
 Data: <  &#165;&#198;            > E0 02 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FCF8870D20, 16 bytes long.
 Data: <  &#165;&#198;            > 10 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FCF8870500, 16 bytes long.
 Data: <p &#165;&#198;            > 70 04 A5 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FCF8870370, 16 bytes long.
 Data: < &#192;&#163;&#198;            > 18 C0 A3 C6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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