Task 38677897

Name test_791-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8434_0
Workunit 31619751
Created 26 Oct 2026, 15:44:12 UTC
Sent 26 Oct 2026, 15:44:19 UTC
Report deadline 31 Oct 2026, 15:44:19 UTC
Received 26 Oct 2026, 16:57:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 36 min 28 sec
CPU time 36 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.38 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
09:23:50 (44112): wrapper (7.9.26016): starting
09:23:50 (44112): 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
09:23:52 (44112): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:23:52 (44112): 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\7\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\7\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
09:56:58 (44112): C:/Windows/system32/cmd.exe exited; CPU time 2188.515625
09:56:58 (44112): 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: 33906991 bytes.
Dumping objects ->
{3835233} normal block at 0x0000016E663B1020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000016E663B16B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000016E663B1480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000016E663B0840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000016E663B0A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000016E6645C800, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000016E664BD540, 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) : {3835144} normal block at 0x0000016E647C7190, 8 bytes long.
 Data: <  !fn   > 00 00 21 66 6E 01 00 00 
{3834540} normal block at 0x0000016E664BE250, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000016E647C6F60, 8 bytes long.
 Data: <&#192;&#146;Kfn   > C0 92 4B 66 6E 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000016E647D0960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016E647BBBF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000016E647D1F90, 16 bytes long.
 Data: <&#168;?}dn           > A8 3F 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016E647D1F40, 16 bytes long.
 Data: < ?}dn           > 80 3F 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016E647CBE10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000016E647D1EF0, 16 bytes long.
 Data: <X?}dn           > 58 3F 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016E647D1E50, 16 bytes long.
 Data: <0?}dn           > 30 3F 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016E647D1E00, 16 bytes long.
 Data: < ?}dn           > 08 3F 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016E647D2120, 16 bytes long.
 Data: <&#224;>}dn           > E0 3E 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016E647CD4E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000016E647D1D60, 16 bytes long.
 Data: <&#216;&#176;{dn           > D8 B0 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016E647CB870, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000016E647D1CC0, 16 bytes long.
 Data: <&#176;&#176;{dn           > B0 B0 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016E647D1C70, 16 bytes long.
 Data: < &#176;{dn           > 88 B0 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016E647D20D0, 16 bytes long.
 Data: <`&#176;{dn           > 60 B0 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016E647D1C20, 16 bytes long.
 Data: <8&#176;{dn           > 38 B0 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016E647D2080, 16 bytes long.
 Data: < &#176;{dn           > 10 B0 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016E647D1BD0, 16 bytes long.
 Data: <&#232;&#175;{dn           > E8 AF 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016E647CBE70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000016E647D2030, 16 bytes long.
 Data: <&#192;&#175;{dn           > C0 AF 7B 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016E647BAFC0, 320 bytes long.
 Data: <0 }dn   p&#190;|dn   > 30 20 7D 64 6E 01 00 00 70 BE 7C 64 6E 01 00 00 
{275} normal block at 0x0000016E647D1B80, 16 bytes long.
 Data: <&#192;>}dn           > C0 3E 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016E647D1B30, 16 bytes long.
 Data: < >}dn           > 98 3E 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016E647CBDB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000016E647D1A90, 16 bytes long.
 Data: <p>}dn           > 70 3E 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016E647CC410, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000016E647D1A40, 16 bytes long.
 Data: <&#184;=}dn           > B8 3D 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016E647D1D10, 16 bytes long.
 Data: < =}dn           > 90 3D 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016E647D2710, 16 bytes long.
 Data: <h=}dn           > 68 3D 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016E647D19F0, 16 bytes long.
 Data: <@=}dn           > 40 3D 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016E647D26C0, 16 bytes long.
 Data: < =}dn           > 18 3D 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016E647D1950, 16 bytes long.
 Data: <&#240;<}dn           > F0 3C 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016E647D2620, 16 bytes long.
 Data: <0&#214;|dn           > 30 D6 7C 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016E647CD630, 40 bytes long.
 Data: < &}dn    &#200;Efn   > 20 26 7D 64 6E 01 00 00 00 C8 45 66 6E 01 00 00 
{261} normal block at 0x0000016E647D2350, 16 bytes long.
 Data: <&#208;<}dn           > D0 3C 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016E647D1900, 16 bytes long.
 Data: <&#168;<}dn           > A8 3C 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016E647CC170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000016E647D1DB0, 16 bytes long.
 Data: < <}dn           > 80 3C 7D 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016E647D3C80, 992 bytes long.
 Data: <&#176; }dn   p&#193;|dn   > B0 1D 7D 64 6E 01 00 00 70 C1 7C 64 6E 01 00 00 
{93} normal block at 0x0000016E647CC6B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000016E647C6E70, 16 bytes long.
 Data: <P&#213;|dn           > 50 D5 7C 64 6E 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000016E647CD550, 40 bytes long.
 Data: <pn|dn   &#176;&#198;|dn   > 70 6E 7C 64 6E 01 00 00 B0 C6 7C 64 6E 01 00 00 
{70} normal block at 0x0000016E647C6BF0, 16 bytes long.
 Data: < &#234; &#245;&#247;           > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016E647C75A0, 16 bytes long.
 Data: <@&#233; &#245;&#247;           > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016E647C7550, 16 bytes long.
 Data: <&#248;W&#253;&#244;&#247;           > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016E647C6E20, 16 bytes long.
 Data: <&#216;W&#253;&#244;&#247;           > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016E647C7A00, 16 bytes long.
 Data: <P &#253;&#244;&#247;           > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016E647C6AB0, 16 bytes long.
 Data: <0 &#253;&#244;&#247;           > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016E647C7500, 16 bytes long.
 Data: <&#224; &#253;&#244;&#247;           > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016E647C7460, 16 bytes long.
 Data: <  &#253;&#244;&#247;           > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016E647C77D0, 16 bytes long.
 Data: <p &#253;&#244;&#247;           > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016E647C6B00, 16 bytes long.
 Data: < &#192;&#251;&#244;&#247;           > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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