Task 38682077

Name test_750-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND8269_1
Workunit 31599600
Created 27 Oct 2026, 6:28:50 UTC
Sent 27 Oct 2026, 6:28:52 UTC
Report deadline 1 Nov 2026, 6:28:52 UTC
Received 27 Oct 2026, 8:31:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632067
Run time 2 hours 1 min 25 sec
CPU time 1 hours 56 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,333.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.71 MB
Peak swap size 8.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:32:41 (20540): wrapper (7.9.26016): starting
01:32:41 (20540): 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
01:32:42 (20540): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:32:42 (20540): 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
03:30:47 (20540): C:/Windows/system32/cmd.exe exited; CPU time 7003.546875
03:30:47 (20540): 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: 126426239 bytes.
Dumping objects ->
{3835438} normal block at 0x0000028B52C59F80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000028B50EF6100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835416} normal block at 0x0000028B50EF6250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835405} normal block at 0x0000028B50EF6800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x0000028B50EF66B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835363} normal block at 0x0000028B52C68E50, 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) : {3835350} normal block at 0x0000028B50EF2360, 8 bytes long.
 Data: <  RQ&#139;   > 00 00 52 51 8B 02 00 00 
{3833965} normal block at 0x0000028B50EF1E60, 8 bytes long.
 Data: <&#240;&#249;&#237;P&#139;   > F0 F9 ED 50 8B 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000028B50EE7720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000028B50EE8880, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000028B50EF7220, 16 bytes long.
 Data: <(~&#239;P&#139;           > 28 7E EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028B50EF6BE0, 16 bytes long.
 Data: < ~&#239;P&#139;           > 00 7E EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028B50EF0160, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000028B50EF7A90, 16 bytes long.
 Data: <&#216;}&#239;P&#139;           > D8 7D EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028B50EF7630, 16 bytes long.
 Data: <&#176;}&#239;P&#139;           > B0 7D EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028B50EF7270, 16 bytes long.
 Data: < }&#239;P&#139;           > 88 7D EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028B50EF6B90, 16 bytes long.
 Data: <`}&#239;P&#139;           > 60 7D EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028B50EF64F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000028B50EF6B40, 16 bytes long.
 Data: <  &#239;P&#139;           > 08 13 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028B50EF02E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000028B50EF71D0, 16 bytes long.
 Data: <&#224; &#239;P&#139;           > E0 12 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028B50EF7180, 16 bytes long.
 Data: <&#184; &#239;P&#139;           > B8 12 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028B50EF7130, 16 bytes long.
 Data: <  &#239;P&#139;           > 90 12 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028B50EF78B0, 16 bytes long.
 Data: <h &#239;P&#139;           > 68 12 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028B50EF6D70, 16 bytes long.
 Data: <@ &#239;P&#139;           > 40 12 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028B50EF7400, 16 bytes long.
 Data: <  &#239;P&#139;           > 18 12 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028B50EF0460, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000028B50EF7090, 16 bytes long.
 Data: <&#240; &#239;P&#139;           > F0 11 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028B50EF11F0, 320 bytes long.
 Data: < p&#239;P&#139;   ` &#239;P&#139;   > 90 70 EF 50 8B 02 00 00 60 04 EF 50 8B 02 00 00 
{278} normal block at 0x0000028B50EF6EB0, 16 bytes long.
 Data: <@}&#239;P&#139;           > 40 7D EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028B50EF7040, 16 bytes long.
 Data: < }&#239;P&#139;           > 18 7D EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028B50EF0100, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000028B50EF6E60, 16 bytes long.
 Data: <&#240;|&#239;P&#139;           > F0 7C EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028B50EEFC80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000028B50EF7360, 16 bytes long.
 Data: <8|&#239;P&#139;           > 38 7C EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028B50EF70E0, 16 bytes long.
 Data: < |&#239;P&#139;           > 10 7C EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028B50EF72C0, 16 bytes long.
 Data: <&#232;{&#239;P&#139;           > E8 7B EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028B50EF6E10, 16 bytes long.
 Data: <&#192;{&#239;P&#139;           > C0 7B EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028B50EF77C0, 16 bytes long.
 Data: < {&#239;P&#139;           > 98 7B EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028B50EF7950, 16 bytes long.
 Data: <p{&#239;P&#139;           > 70 7B EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028B50EF6F00, 16 bytes long.
 Data: < d&#239;P&#139;           > 80 64 EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028B50EF6480, 40 bytes long.
 Data: < o&#239;P&#139;   P&#142;&#198;R&#139;   > 00 6F EF 50 8B 02 00 00 50 8E C6 52 8B 02 00 00 
{264} normal block at 0x0000028B50EF74A0, 16 bytes long.
 Data: <P{&#239;P&#139;           > 50 7B EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028B50EF6FF0, 16 bytes long.
 Data: <({&#239;P&#139;           > 28 7B EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028B50EF0040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000028B50EF6FA0, 16 bytes long.
 Data: < {&#239;P&#139;           > 00 7B EF 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028B50EF7B00, 992 bytes long.
 Data: <&#160;o&#239;P&#139;   @ &#239;P&#139;   > A0 6F EF 50 8B 02 00 00 40 00 EF 50 8B 02 00 00 
{96} normal block at 0x0000028B50EEFFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000028B50EF1D20, 16 bytes long.
 Data: <`&#232;&#237;P&#139;           > 60 E8 ED 50 8B 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000028B50EDE860, 40 bytes long.
 Data: <  &#239;P&#139;   &#224;&#255;&#238;P&#139;   > 20 1D EF 50 8B 02 00 00 E0 FF EE 50 8B 02 00 00 
{73} normal block at 0x0000028B50EF1EB0, 16 bytes long.
 Data: < &#234;o@&#247;           > 80 EA 6F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028B50EF22C0, 16 bytes long.
 Data: <@&#233;o@&#247;           > 40 E9 6F 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028B50EF1E10, 16 bytes long.
 Data: <&#248;Wl@&#247;           > F8 57 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028B50EF21D0, 16 bytes long.
 Data: <&#216;Wl@&#247;           > D8 57 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028B50EF1500, 16 bytes long.
 Data: <P l@&#247;           > 50 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028B50EF2180, 16 bytes long.
 Data: <0 l@&#247;           > 30 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028B50EF1CD0, 16 bytes long.
 Data: <&#224; l@&#247;           > E0 02 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028B50EF2270, 16 bytes long.
 Data: <  l@&#247;           > 10 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028B50EF1C80, 16 bytes long.
 Data: <p l@&#247;           > 70 04 6C 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028B50EF2220, 16 bytes long.
 Data: < &#192;j@&#247;           > 18 C0 6A 40 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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