Task 38672475

Name test_618-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND7050_0
Workunit 31614613
Created 25 Oct 2026, 23:31:32 UTC
Sent 25 Oct 2026, 23:31:38 UTC
Report deadline 30 Oct 2026, 23:31:38 UTC
Received 25 Oct 2026, 23:56:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626877
Run time 23 min 43 sec
CPU time 21 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.00 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:32:28 (13124): wrapper (7.9.26016): starting
19:32:28 (13124): 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
19:32:29 (13124): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:32:29 (13124): 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\16\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\16\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
19:55:45 (13124): C:/Windows/system32/cmd.exe exited; CPU time 1309.843750
19:55:45 (13124): 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: 29153807 bytes.
Dumping objects ->
{3835213} normal block at 0x000002168CB33200, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000002168CB32B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000002168CB32A90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835180} normal block at 0x000002168CB330B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000002168CB32E80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835138} normal block at 0x000002168CA5D180, 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) : {3835125} normal block at 0x000002168AD1D910, 8 bytes long.
 Data: <  '&#139;    > 00 00 27 8B 16 02 00 00 
{3833963} normal block at 0x000002168AD1D3C0, 8 bytes long.
 Data: < S&#176;&#140;    > 90 53 B0 8C 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002168AD20DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002168AD16160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002168AD25A80, 16 bytes long.
 Data: < i&#210;&#138;            > 08 69 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002168AD25E40, 16 bytes long.
 Data: <&#224;h&#210;&#138;            > E0 68 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002168AD1F7D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002168AD25DA0, 16 bytes long.
 Data: <&#184;h&#210;&#138;            > B8 68 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002168AD26570, 16 bytes long.
 Data: < h&#210;&#138;            > 90 68 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002168AD26200, 16 bytes long.
 Data: <hh&#210;&#138;            > 68 68 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002168AD26110, 16 bytes long.
 Data: <@h&#210;&#138;            > 40 68 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002168AD23C70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002168AD260C0, 16 bytes long.
 Data: <H&#233;&#208;&#138;            > 48 E9 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002168AD1F650, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002168AD26430, 16 bytes long.
 Data: < &#233;&#208;&#138;            > 20 E9 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002168AD256C0, 16 bytes long.
 Data: <&#248;&#232;&#208;&#138;            > F8 E8 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002168AD25EE0, 16 bytes long.
 Data: <&#208;&#232;&#208;&#138;            > D0 E8 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002168AD25E90, 16 bytes long.
 Data: <&#168;&#232;&#208;&#138;            > A8 E8 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002168AD26070, 16 bytes long.
 Data: < &#232;&#208;&#138;            > 80 E8 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002168AD262A0, 16 bytes long.
 Data: <X&#232;&#208;&#138;            > 58 E8 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002168AD1F6B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002168AD26250, 16 bytes long.
 Data: <0&#232;&#208;&#138;            > 30 E8 D0 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002168AD0E830, 320 bytes long.
 Data: <Pb&#210;&#138;    &#176;&#246;&#209;&#138;    > 50 62 D2 8A 16 02 00 00 B0 F6 D1 8A 16 02 00 00 
{277} normal block at 0x000002168AD26020, 16 bytes long.
 Data: < h&#210;&#138;            > 20 68 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002168AD25760, 16 bytes long.
 Data: <&#248;g&#210;&#138;            > F8 67 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002168AD1EA50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002168AD25B70, 16 bytes long.
 Data: <&#208;g&#210;&#138;            > D0 67 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002168AD1F2F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002168AD25DF0, 16 bytes long.
 Data: < g&#210;&#138;            > 18 67 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002168AD25B20, 16 bytes long.
 Data: <&#240;f&#210;&#138;            > F0 66 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002168AD263E0, 16 bytes long.
 Data: <&#200;f&#210;&#138;            > C8 66 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002168AD261B0, 16 bytes long.
 Data: <&#160;f&#210;&#138;            > A0 66 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002168AD25AD0, 16 bytes long.
 Data: <xf&#210;&#138;            > 78 66 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002168AD26390, 16 bytes long.
 Data: <Pf&#210;&#138;            > 50 66 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002168AD262F0, 16 bytes long.
 Data: < ?&#210;&#138;            > 10 3F D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002168AD23F10, 40 bytes long.
 Data: <&#240;b&#210;&#138;     &#209;&#165;&#140;    > F0 62 D2 8A 16 02 00 00 80 D1 A5 8C 16 02 00 00 
{263} normal block at 0x000002168AD26160, 16 bytes long.
 Data: <0f&#210;&#138;            > 30 66 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002168AD258F0, 16 bytes long.
 Data: < f&#210;&#138;            > 08 66 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002168AD1F4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002168AD259E0, 16 bytes long.
 Data: <&#224;e&#210;&#138;            > E0 65 D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002168AD265E0, 992 bytes long.
 Data: <&#224;Y&#210;&#138;    &#208;&#244;&#209;&#138;    > E0 59 D2 8A 16 02 00 00 D0 F4 D1 8A 16 02 00 00 
{95} normal block at 0x000002168AD1ED50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002168AD1D960, 16 bytes long.
 Data: < ?&#210;&#138;            > 80 3F D2 8A 16 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002168AD23F80, 40 bytes long.
 Data: <`&#217;&#209;&#138;    P&#237;&#209;&#138;    > 60 D9 D1 8A 16 02 00 00 50 ED D1 8A 16 02 00 00 
{72} normal block at 0x000002168AD1DA00, 16 bytes long.
 Data: < &#234; |&#247;           > 80 EA 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002168AD1D9B0, 16 bytes long.
 Data: <@&#233; |&#247;           > 40 E9 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002168AD1DBE0, 16 bytes long.
 Data: <&#248;W |&#247;           > F8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002168AD1DE10, 16 bytes long.
 Data: <&#216;W |&#247;           > D8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002168AD1DDC0, 16 bytes long.
 Data: <P  |&#247;           > 50 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002168AD1DD70, 16 bytes long.
 Data: <0  |&#247;           > 30 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002168AD1DAF0, 16 bytes long.
 Data: <&#224;  |&#247;           > E0 02 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002168AD1D280, 16 bytes long.
 Data: <   |&#247;           > 10 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002168AD1E040, 16 bytes long.
 Data: <p  |&#247;           > 70 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002168AD1D640, 16 bytes long.
 Data: < &#192; |&#247;           > 18 C0 19 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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