Task 38684541

Name test_241-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7909_0
Workunit 31626052
Created 27 Oct 2026, 16:53:01 UTC
Sent 27 Oct 2026, 16:53:11 UTC
Report deadline 1 Nov 2026, 16:53:11 UTC
Received 27 Oct 2026, 17:41:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 38 min
CPU time 37 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.07 MB
Peak swap size 7.00 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:02:55 (30968): wrapper (7.9.26016): starting
18:02:55 (30968): 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
18:02:56 (30968): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:02:56 (30968): 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\4\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\4\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
18:40:04 (30968): C:/Windows/system32/cmd.exe exited; CPU time 2231.640625
18:40:04 (30968): 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: 47092495 bytes.
Dumping objects ->
{3835244} normal block at 0x0000021E17CA6670, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000021E17CA6520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000021E17CA6D00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x0000021E17CA6980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000021E17CA7320, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x0000021E197AC8E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000021E1980E2C0, 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) : {3835155} normal block at 0x0000021E17C77200, 8 bytes long.
 Data: <  X     > 00 00 58 19 1E 02 00 00 
{3834549} normal block at 0x0000021E1980E4D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000021E17C77390, 8 bytes long.
 Data: <`p&#137;     > 60 70 89 19 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021E17C81D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021E17C7D890, 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 0x0000021E17C834E0, 16 bytes long.
 Data: <XC&#200;             > 58 43 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021E17C83210, 16 bytes long.
 Data: <0C&#200;             > 30 43 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021E17C7C3B0, 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 0x0000021E17C83760, 16 bytes long.
 Data: < C&#200;             > 08 43 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021E17C82CC0, 16 bytes long.
 Data: <&#224;B&#200;             > E0 42 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021E17C82DB0, 16 bytes long.
 Data: <&#184;B&#200;             > B8 42 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E17C83490, 16 bytes long.
 Data: < B&#200;             > 90 42 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021E17C7DEB0, 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 0x0000021E17C83580, 16 bytes long.
 Data: <H&#181;&#198;             > 48 B5 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021E17C7C110, 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 0x0000021E17C838F0, 16 bytes long.
 Data: < &#181;&#198;             > 20 B5 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E17C83850, 16 bytes long.
 Data: <&#248;&#180;&#198;             > F8 B4 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E17C831C0, 16 bytes long.
 Data: <&#208;&#180;&#198;             > D0 B4 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E17C839E0, 16 bytes long.
 Data: <&#168;&#180;&#198;             > A8 B4 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E17C833F0, 16 bytes long.
 Data: < &#180;&#198;             > 80 B4 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E17C83B70, 16 bytes long.
 Data: <X&#180;&#198;             > 58 B4 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E17C7B9F0, 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 0x0000021E17C83A80, 16 bytes long.
 Data: <0&#180;&#198;             > 30 B4 C6 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E17C6B430, 320 bytes long.
 Data: < :&#200;     &#240;&#185;&#199;     > 80 3A C8 17 1E 02 00 00 F0 B9 C7 17 1E 02 00 00 
{278} normal block at 0x0000021E17C83170, 16 bytes long.
 Data: <pB&#200;             > 70 42 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E17C83030, 16 bytes long.
 Data: <HB&#200;             > 48 42 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E17C7BB10, 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 0x0000021E17C838A0, 16 bytes long.
 Data: < B&#200;             > 20 42 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E17C7BED0, 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 0x0000021E17C83120, 16 bytes long.
 Data: <hA&#200;             > 68 41 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E17C83080, 16 bytes long.
 Data: <@A&#200;             > 40 41 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E17C833A0, 16 bytes long.
 Data: < A&#200;             > 18 41 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E17C83B20, 16 bytes long.
 Data: <&#240;@&#200;             > F0 40 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E17C82FE0, 16 bytes long.
 Data: <&#200;@&#200;             > C8 40 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021E17C83260, 16 bytes long.
 Data: <&#160;@&#200;             > A0 40 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E17C82E00, 16 bytes long.
 Data: <&#192;&#218;&#199;             > C0 DA C7 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E17C7DAC0, 40 bytes long.
 Data: < .&#200;     &#224;&#200;z     > 00 2E C8 17 1E 02 00 00 E0 C8 7A 19 1E 02 00 00 
{264} normal block at 0x0000021E17C83620, 16 bytes long.
 Data: < @&#200;             > 80 40 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E17C83940, 16 bytes long.
 Data: <X@&#200;             > 58 40 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021E17C7C6B0, 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 0x0000021E17C832B0, 16 bytes long.
 Data: <0@&#200;             > 30 40 C8 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021E17C84030, 992 bytes long.
 Data: <&#176;2&#200;     &#176;&#198;&#199;     > B0 32 C8 17 1E 02 00 00 B0 C6 C7 17 1E 02 00 00 
{96} normal block at 0x0000021E17C7BB70, 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 0x0000021E17C77B10, 16 bytes long.
 Data: <&#240;&#220;&#199;             > F0 DC C7 17 1E 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000021E17C7DCF0, 40 bytes long.
 Data: < {&#199;     p&#187;&#199;     > 10 7B C7 17 1E 02 00 00 70 BB C7 17 1E 02 00 00 
{73} normal block at 0x0000021E17C772F0, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021E17C776B0, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021E17C77520, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021E17C771B0, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021E17C76EE0, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021E17C76F80, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E17C77750, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E17C76F30, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E17C77AC0, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021E17C77160, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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