Task 38680339

Name test_174-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7413_0
Workunit 31622063
Created 26 Oct 2026, 23:36:52 UTC
Sent 26 Oct 2026, 23:36:54 UTC
Report deadline 31 Oct 2026, 23:36:54 UTC
Received 27 Oct 2026, 2:29:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 48 min 13 sec
CPU time 42 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.02 MB
Peak swap size 9.73 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:26:27 (11936): wrapper (7.9.26016): starting
03:26:27 (11936): 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
03:26:30 (11936): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:26:30 (11936): 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\11\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\11\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
04:12:21 (11936): C:/Windows/system32/cmd.exe exited; CPU time 2562.687500
04:12:21 (11936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 36510031 bytes.
Dumping objects ->
{3835241} normal block at 0x000002D2B48BABF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x000002D2B48BA640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000002D2B48BA5D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x000002D2B48BA950, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002D2B2B9BCE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x000002D2B4902520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000002D2B4961050, 180 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) : {3835151} normal block at 0x000002D2B2B97240, 8 bytes long.
 Data: <  &#178;&#178;&#210;   > 00 00 B2 B2 D2 02 00 00 
{3834544} normal block at 0x000002D2B4961410, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000002D2B2B97BA0, 8 bytes long.
 Data: <&#208;%&#150;&#180;&#210;   > D0 25 96 B4 D2 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002D2B2BA0CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D2B2B8DA30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002D2B2BA2250, 16 bytes long.
 Data: <&#200;A&#186;&#178;&#210;           > C8 41 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D2B2BA1E90, 16 bytes long.
 Data: <&#160;A&#186;&#178;&#210;           > A0 41 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D2B2B9DA10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002D2B2BA2110, 16 bytes long.
 Data: <xA&#186;&#178;&#210;           > 78 41 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D2B2BA2610, 16 bytes long.
 Data: <PA&#186;&#178;&#210;           > 50 41 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D2B2BA1BC0, 16 bytes long.
 Data: <(A&#186;&#178;&#210;           > 28 41 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D2B2BA1B70, 16 bytes long.
 Data: < A&#186;&#178;&#210;           > 00 41 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D2B2B9C140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002D2B2BA28E0, 16 bytes long.
 Data: <&#200;Z&#184;&#178;&#210;           > C8 5A B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D2B2B9D1D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002D2B2BA1D00, 16 bytes long.
 Data: <&#160;Z&#184;&#178;&#210;           > A0 5A B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002D2B2BA1B20, 16 bytes long.
 Data: <xZ&#184;&#178;&#210;           > 78 5A B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D2B2BA1CB0, 16 bytes long.
 Data: <PZ&#184;&#178;&#210;           > 50 5A B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D2B2BA1AD0, 16 bytes long.
 Data: <(Z&#184;&#178;&#210;           > 28 5A B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D2B2BA2A20, 16 bytes long.
 Data: < Z&#184;&#178;&#210;           > 00 5A B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D2B2BA1D50, 16 bytes long.
 Data: <&#216;Y&#184;&#178;&#210;           > D8 59 B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D2B2B9D050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002D2B2BA2390, 16 bytes long.
 Data: <&#176;Y&#184;&#178;&#210;           > B0 59 B8 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D2B2B859B0, 320 bytes long.
 Data: <&#144;#&#186;&#178;&#210;   P&#208; &#178;&#210;   > 90 23 BA B2 D2 02 00 00 50 D0 B9 B2 D2 02 00 00 
{266} normal block at 0x000002D2B2BA1C60, 16 bytes long.
 Data: <&#224;@&#186;&#178;&#210;           > E0 40 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D2B2BA1C10, 16 bytes long.
 Data: <&#184;@&#186;&#178;&#210;           > B8 40 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D2B2B9D470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002D2B2BA2750, 16 bytes long.
 Data: <&#144;@&#186;&#178;&#210;           > 90 40 BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D2B2B9D890, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002D2B2BA20C0, 16 bytes long.
 Data: <&#216;?&#186;&#178;&#210;           > D8 3F BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D2B2BA26B0, 16 bytes long.
 Data: <&#176;?&#186;&#178;&#210;           > B0 3F BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D2B2BA22F0, 16 bytes long.
 Data: < ?&#186;&#178;&#210;           > 88 3F BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002D2B2BA24D0, 16 bytes long.
 Data: <`?&#186;&#178;&#210;           > 60 3F BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D2B2BA29D0, 16 bytes long.
 Data: <8?&#186;&#178;&#210;           > 38 3F BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D2B2BA27F0, 16 bytes long.
 Data: < ?&#186;&#178;&#210;           > 10 3F BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002D2B2BA2520, 16 bytes long.
 Data: <P&#189; &#178;&#210;           > 50 BD B9 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002D2B2B9BD50, 40 bytes long.
 Data: < %&#186;&#178;&#210;    %&#144;&#180;&#210;   > 20 25 BA B2 D2 02 00 00 20 25 90 B4 D2 02 00 00 
{252} normal block at 0x000002D2B2BA25C0, 16 bytes long.
 Data: <&#240;>&#186;&#178;&#210;           > F0 3E BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002D2B2BA2070, 16 bytes long.
 Data: <&#200;>&#186;&#178;&#210;           > C8 3E BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002D2B2B9DE90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002D2B2BA2980, 16 bytes long.
 Data: <&#160;>&#186;&#178;&#210;           > A0 3E BA B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002D2B2BA3EA0, 992 bytes long.
 Data: <&#128;)&#186;&#178;&#210;   &#144;&#222; &#178;&#210;   > 80 29 BA B2 D2 02 00 00 90 DE B9 B2 D2 02 00 00 
{84} normal block at 0x000002D2B2B9D7D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002D2B2B97CE0, 16 bytes long.
 Data: < &#194; &#178;&#210;           > 20 C2 B9 B2 D2 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002D2B2B9C220, 40 bytes long.
 Data: <&#224;| &#178;&#210;   &#208;&#215; &#178;&#210;   > E0 7C B9 B2 D2 02 00 00 D0 D7 B9 B2 D2 02 00 00 
{61} normal block at 0x000002D2B2B970B0, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D2B2B97740, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002D2B2B97B00, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002D2B2B971A0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002D2B2B978D0, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002D2B2B97BF0, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002D2B2B97AB0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002D2B2B97970, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002D2B2B97B50, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002D2B2B97560, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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