Task 38677064

Name test_439-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0034_1
Workunit 31618893
Created 26 Oct 2026, 13:10:46 UTC
Sent 26 Oct 2026, 13:10:49 UTC
Report deadline 31 Oct 2026, 13:10:49 UTC
Received 26 Oct 2026, 14:27:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 44 min 35 sec
CPU time 41 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.94 MB
Peak swap size 12.91 GB
Peak disk usage 3.41 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:32 (45760): wrapper (7.9.26016): starting
14:44:32 (45760): 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
14:44:35 (45760): Library/usr/bin/tar.exe exited; CPU time 0.031250
14:44:35 (45760): 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\5\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\5\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
15:26:49 (45760): C:/Windows/system32/cmd.exe exited; CPU time 2511.031250
15:26:49 (45760): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 65196177 bytes.
Dumping objects ->
{3835258} normal block at 0x0000018E8CCB08B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000018E8CCB1410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000018E8CCB0FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000018E8CCB1250, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000018E8CCB0E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000018E8CD5B320, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000018E8CE43980, 141 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) : {3835169} normal block at 0x0000018E8B1755C0, 8 bytes long.
 Data: <   &#139;&#142;   > 00 00 0F 8B 8E 01 00 00 
{3834553} normal block at 0x0000018E8CE437E0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000018E8B175570, 8 bytes long.
 Data: < &#170; &#139;&#142;   > 80 AA 16 8B 8E 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000018E8B180C50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018E8B181B90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000018E8B181E70, 16 bytes long.
 Data: <x/ &#139;&#142;           > 78 2F 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018E8B182A50, 16 bytes long.
 Data: <P/ &#139;&#142;           > 50 2F 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018E8B17BA50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000018E8B181D80, 16 bytes long.
 Data: <(/ &#139;&#142;           > 28 2F 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018E8B182640, 16 bytes long.
 Data: < / &#139;&#142;           > 00 2F 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018E8B182870, 16 bytes long.
 Data: <&#216;. &#139;&#142;           > D8 2E 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018E8B181D30, 16 bytes long.
 Data: <&#176;. &#139;&#142;           > B0 2E 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018E8B17A620, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000018E8B181CE0, 16 bytes long.
 Data: <(  &#139;&#142;           > 28 1B 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018E8B17BC30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000018E8B182BE0, 16 bytes long.
 Data: <   &#139;&#142;           > 00 1B 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018E8B182AF0, 16 bytes long.
 Data: <&#216;  &#139;&#142;           > D8 1A 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018E8B1820F0, 16 bytes long.
 Data: <&#176;  &#139;&#142;           > B0 1A 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018E8B182820, 16 bytes long.
 Data: <   &#139;&#142;           > 88 1A 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018E8B181FB0, 16 bytes long.
 Data: <`  &#139;&#142;           > 60 1A 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018E8B182910, 16 bytes long.
 Data: <8  &#139;&#142;           > 38 1A 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018E8B17BD50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000018E8B182000, 16 bytes long.
 Data: <   &#139;&#142;           > 10 1A 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018E8B181A10, 320 bytes long.
 Data: <   &#139;&#142;   P&#189; &#139;&#142;   > 00 20 18 8B 8E 01 00 00 50 BD 17 8B 8E 01 00 00 
{269} normal block at 0x0000018E8B182730, 16 bytes long.
 Data: < . &#139;&#142;           > 90 2E 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018E8B181C90, 16 bytes long.
 Data: <h. &#139;&#142;           > 68 2E 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018E8B17BF90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000018E8B181DD0, 16 bytes long.
 Data: <@. &#139;&#142;           > 40 2E 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018E8B17BFF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000018E8B182AA0, 16 bytes long.
 Data: < - &#139;&#142;           > 88 2D 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018E8B1825F0, 16 bytes long.
 Data: <`- &#139;&#142;           > 60 2D 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018E8B182460, 16 bytes long.
 Data: <8- &#139;&#142;           > 38 2D 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018E8B182550, 16 bytes long.
 Data: < - &#139;&#142;           > 10 2D 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018E8B1828C0, 16 bytes long.
 Data: <&#232;, &#139;&#142;           > E8 2C 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018E8B1829B0, 16 bytes long.
 Data: <&#192;, &#139;&#142;           > C0 2C 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018E8B182B90, 16 bytes long.
 Data: <&#192;&#161; &#139;&#142;           > C0 A1 17 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018E8B17A1C0, 40 bytes long.
 Data: < + &#139;&#142;    &#179;&#213;&#140;&#142;   > 90 2B 18 8B 8E 01 00 00 20 B3 D5 8C 8E 01 00 00 
{255} normal block at 0x0000018E8B182500, 16 bytes long.
 Data: <&#160;, &#139;&#142;           > A0 2C 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018E8B182B40, 16 bytes long.
 Data: <x, &#139;&#142;           > 78 2C 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018E8B17B810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000018E8B181EC0, 16 bytes long.
 Data: <P, &#139;&#142;           > 50 2C 18 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000018E8B182C50, 992 bytes long.
 Data: <&#192;  &#139;&#142;    &#184; &#139;&#142;   > C0 1E 18 8B 8E 01 00 00 10 B8 17 8B 8E 01 00 00 
{87} normal block at 0x0000018E8B17C1D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000018E8B175F20, 16 bytes long.
 Data: <P&#168; &#139;&#142;           > 50 A8 17 8B 8E 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000018E8B17A850, 40 bytes long.
 Data: < _ &#139;&#142;   &#208;&#193; &#139;&#142;   > 20 5F 17 8B 8E 01 00 00 D0 C1 17 8B 8E 01 00 00 
{64} normal block at 0x0000018E8B175930, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018E8B175480, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018E8B1758E0, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018E8B175980, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018E8B175DE0, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018E8B175750, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018E8B1754D0, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018E8B1757F0, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018E8B175D90, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000018E8B175F70, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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