Task 38688242

Name test_733-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6306_0
Workunit 31629602
Created 28 Oct 2026, 12:39:23 UTC
Sent 28 Oct 2026, 12:39:27 UTC
Report deadline 2 Nov 2026, 12:39:27 UTC
Received 28 Oct 2026, 13:38:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 57 min 59 sec
CPU time 51 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.31 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:40:57 (58784): wrapper (7.9.26016): starting
08:40:57 (58784): 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
08:40:58 (58784): Library/usr/bin/tar.exe exited; CPU time 0.031250
08:40:58 (58784): 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
09:38:14 (58784): C:/Windows/system32/cmd.exe exited; CPU time 3112.781250
09:38:14 (58784): 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: 82451019 bytes.
Dumping objects ->
{3835500} normal block at 0x000001EE84794900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001EE84794890, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x000001EE847949E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x000001EE84794970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001EE84794820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x000001EE865982F0, 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) : {3835412} normal block at 0x000001EE8478EE30, 8 bytes long.
 Data: <  q&#132;&#238;   > 00 00 71 84 EE 01 00 00 
{3833959} normal block at 0x000001EE8478EB60, 8 bytes long.
 Data: <&#176;&#223;J&#134;&#238;   > B0 DF 4A 86 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EE84790D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EE84786630, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001EE84795BC0, 16 bytes long.
 Data: <&#200;gy&#132;&#238;           > C8 67 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE84795DA0, 16 bytes long.
 Data: <&#160;gy&#132;&#238;           > A0 67 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EE84790500, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001EE84795F30, 16 bytes long.
 Data: <xgy&#132;&#238;           > 78 67 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE84795AD0, 16 bytes long.
 Data: <Pgy&#132;&#238;           > 50 67 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EE84795A80, 16 bytes long.
 Data: <(gy&#132;&#238;           > 28 67 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE84795760, 16 bytes long.
 Data: < gy&#132;&#238;           > 00 67 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EE84794A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001EE84795DF0, 16 bytes long.
 Data: <&#232;&#180;w&#132;&#238;           > E8 B4 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE84790320, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001EE84795E90, 16 bytes long.
 Data: <&#192;&#180;w&#132;&#238;           > C0 B4 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EE847960C0, 16 bytes long.
 Data: < &#180;w&#132;&#238;           > 98 B4 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EE847961B0, 16 bytes long.
 Data: <p&#180;w&#132;&#238;           > 70 B4 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE84796020, 16 bytes long.
 Data: <H&#180;w&#132;&#238;           > 48 B4 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EE847956C0, 16 bytes long.
 Data: < &#180;w&#132;&#238;           > 20 B4 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE84795670, 16 bytes long.
 Data: <&#248;&#179;w&#132;&#238;           > F8 B3 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EE8478F960, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001EE84795620, 16 bytes long.
 Data: <&#208;&#179;w&#132;&#238;           > D0 B3 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE8477B3D0, 320 bytes long.
 Data: < Vy&#132;&#238;   `&#249;x&#132;&#238;   > 20 56 79 84 EE 01 00 00 60 F9 78 84 EE 01 00 00 
{275} normal block at 0x000001EE847959E0, 16 bytes long.
 Data: <&#224;fy&#132;&#238;           > E0 66 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE84796110, 16 bytes long.
 Data: <&#184;fy&#132;&#238;           > B8 66 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EE8478F8A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001EE847963E0, 16 bytes long.
 Data: < fy&#132;&#238;           > 90 66 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EE8478F720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001EE84796200, 16 bytes long.
 Data: <&#216;ey&#132;&#238;           > D8 65 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE84795F80, 16 bytes long.
 Data: <&#176;ey&#132;&#238;           > B0 65 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EE84795580, 16 bytes long.
 Data: < ey&#132;&#238;           > 88 65 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE84795990, 16 bytes long.
 Data: <`ey&#132;&#238;           > 60 65 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE84796250, 16 bytes long.
 Data: <8ey&#132;&#238;           > 38 65 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE84795CB0, 16 bytes long.
 Data: < ey&#132;&#238;           > 10 65 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE84795710, 16 bytes long.
 Data: <&#208;Fy&#132;&#238;           > D0 46 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EE847946D0, 40 bytes long.
 Data: < Wy&#132;&#238;   &#240;&#130;Y&#134;&#238;   > 10 57 79 84 EE 01 00 00 F0 82 59 86 EE 01 00 00 
{261} normal block at 0x000001EE847955D0, 16 bytes long.
 Data: <&#240;dy&#132;&#238;           > F0 64 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE84795FD0, 16 bytes long.
 Data: <&#200;dy&#132;&#238;           > C8 64 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EE8478FCC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001EE847957B0, 16 bytes long.
 Data: <&#160;dy&#132;&#238;           > A0 64 79 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EE847964A0, 992 bytes long.
 Data: <&#176;Wy&#132;&#238;   &#192;&#252;x&#132;&#238;   > B0 57 79 84 EE 01 00 00 C0 FC 78 84 EE 01 00 00 
{93} normal block at 0x000001EE84790080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001EE8478EC00, 16 bytes long.
 Data: <0&#198;w&#132;&#238;           > 30 C6 77 84 EE 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001EE8477C630, 40 bytes long.
 Data: < &#236;x&#132;&#238;     y&#132;&#238;   > 00 EC 78 84 EE 01 00 00 80 00 79 84 EE 01 00 00 
{70} normal block at 0x000001EE8478F560, 16 bytes long.
 Data: < &#234; &#191;&#246;           > 80 EA 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EE8478E7F0, 16 bytes long.
 Data: <@&#233; &#191;&#246;           > 40 E9 98 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EE8478E8E0, 16 bytes long.
 Data: <&#248;W&#149;&#191;&#246;           > F8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE8478F510, 16 bytes long.
 Data: <&#216;W&#149;&#191;&#246;           > D8 57 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE8478F380, 16 bytes long.
 Data: <P &#149;&#191;&#246;           > 50 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE8478E750, 16 bytes long.
 Data: <0 &#149;&#191;&#246;           > 30 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE8478E7A0, 16 bytes long.
 Data: <&#224; &#149;&#191;&#246;           > E0 02 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE8478EFC0, 16 bytes long.
 Data: <  &#149;&#191;&#246;           > 10 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE8478EF70, 16 bytes long.
 Data: <p &#149;&#191;&#246;           > 70 04 95 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EE8478ED40, 16 bytes long.
 Data: < &#192;&#147;&#191;&#246;           > 18 C0 93 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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