Task 38688384

Name test_811-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5245_0
Workunit 31629737
Created 28 Oct 2026, 13:34:27 UTC
Sent 28 Oct 2026, 13:34:29 UTC
Report deadline 2 Nov 2026, 13:34:29 UTC
Received 28 Oct 2026, 14:09:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653368
Run time 34 min 21 sec
CPU time
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.04 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:35:55 (32112): wrapper (7.9.26016): starting
13:35:55 (32112): 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
13:35:56 (32112): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:35:56 (32112): 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:\BOINC2\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:\BOINC2\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
14:09:12 (32112): C:/Windows/system32/cmd.exe exited; CPU time 2006.531250
14:09:12 (32112): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 37508057 bytes.
Dumping objects ->
{3835234} normal block at 0x00000212D71E29A0, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835223} normal block at 0x00000212D90447A0, 32 bytes long.
 Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835212} normal block at 0x00000212D9043960, 32 bytes long.
 Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C 
{3835201} normal block at 0x00000212D9043D80, 32 bytes long.
 Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835190} normal block at 0x00000212D90435A0, 32 bytes long.
 Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32 
{3835159} normal block at 0x00000212D71E2EE0, 48 bytes long.
 Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 
{3835148} normal block at 0x00000212D900CA70, 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) : {3835145} normal block at 0x00000212D71DD400, 8 bytes long.
 Data: <  o&#215;    > 00 00 6F D7 12 02 00 00 
{3834543} normal block at 0x00000212D900CF40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000212D71DD6D0, 8 bytes long.
 Data: <&#208;&#234;&#240;&#216;    > D0 EA F0 D8 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000212D71DE930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000212D71D6320, 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 0x00000212D71E37E0, 16 bytes long.
 Data: <HG &#215;            > 48 47 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000212D71E3740, 16 bytes long.
 Data: < G &#215;            > 20 47 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000212D71DE700, 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 0x00000212D71E36F0, 16 bytes long.
 Data: <&#248;F &#215;            > F8 46 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000212D71E3BA0, 16 bytes long.
 Data: <&#208;F &#215;            > D0 46 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000212D71E3D80, 16 bytes long.
 Data: <&#168;F &#215;            > A8 46 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000212D71E3CE0, 16 bytes long.
 Data: < F &#215;            > 80 46 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000212D71E2F50, 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 0x00000212D71E3790, 16 bytes long.
 Data: <H  &#215;            > 48 90 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000212D71DE340, 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 0x00000212D71E3A10, 16 bytes long.
 Data: <   &#215;            > 20 90 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000212D71E3560, 16 bytes long.
 Data: <&#248;  &#215;            > F8 8F 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000212D71E3240, 16 bytes long.
 Data: <&#208;  &#215;            > D0 8F 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000212D71E3650, 16 bytes long.
 Data: <&#168;  &#215;            > A8 8F 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000212D71E3060, 16 bytes long.
 Data: <   &#215;            > 80 8F 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000212D71E3470, 16 bytes long.
 Data: <X  &#215;            > 58 8F 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000212D71DDBC0, 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 0x00000212D71E38D0, 16 bytes long.
 Data: <0  &#215;            > 30 8F 1D D7 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000212D71D8F30, 320 bytes long.
 Data: <&#208;8 &#215;    &#192;&#219; &#215;    > D0 38 1E D7 12 02 00 00 C0 DB 1D D7 12 02 00 00 
{277} normal block at 0x00000212D71E3600, 16 bytes long.
 Data: <`F &#215;            > 60 46 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000212D71E3C40, 16 bytes long.
 Data: <8F &#215;            > 38 46 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212D71DE640, 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 0x00000212D71E3420, 16 bytes long.
 Data: < F &#215;            > 10 46 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212D71DDD40, 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 0x00000212D71E36A0, 16 bytes long.
 Data: <XE &#215;            > 58 45 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000212D71E3510, 16 bytes long.
 Data: <0E &#215;            > 30 45 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000212D71E3830, 16 bytes long.
 Data: < E &#215;            > 08 45 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000212D71E3B50, 16 bytes long.
 Data: <&#224;D &#215;            > E0 44 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000212D71E3330, 16 bytes long.
 Data: <&#184;D &#215;            > B8 44 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000212D71E35B0, 16 bytes long.
 Data: < D &#215;            > 90 44 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000212D71E33D0, 16 bytes long.
 Data: < * &#215;            > 80 2A 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000212D71E2A80, 40 bytes long.
 Data: <&#208;3 &#215;    &#224;. &#215;    > D0 33 1E D7 12 02 00 00 E0 2E 1E D7 12 02 00 00 
{263} normal block at 0x00000212D71E32E0, 16 bytes long.
 Data: <pD &#215;            > 70 44 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000212D71E3AB0, 16 bytes long.
 Data: <HD &#215;            > 48 44 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000212D71DDE00, 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 0x00000212D71E3920, 16 bytes long.
 Data: < D &#215;            > 20 44 1E D7 12 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000212D71E4420, 992 bytes long.
 Data: < 9 &#215;     &#222; &#215;    > 20 39 1E D7 12 02 00 00 00 DE 1D D7 12 02 00 00 
{95} normal block at 0x00000212D71DE7C0, 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 0x00000212D71DC9B0, 16 bytes long.
 Data: <&#240;&#228; &#215;            > F0 E4 1C D7 12 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000212D71CE4F0, 40 bytes long.
 Data: <&#176;&#201; &#215;    &#192;&#231; &#215;    > B0 C9 1D D7 12 02 00 00 C0 E7 1D D7 12 02 00 00 
{72} normal block at 0x00000212D71DD130, 16 bytes long.
 Data: < &#234; &#213;&#247;           > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000212D71DCF00, 16 bytes long.
 Data: <@&#233; &#213;&#247;           > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000212D71DCC80, 16 bytes long.
 Data: <&#248;W&#255;&#212;&#247;           > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000212D71DD5E0, 16 bytes long.
 Data: <&#216;W&#255;&#212;&#247;           > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000212D71DCAA0, 16 bytes long.
 Data: <P &#255;&#212;&#247;           > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000212D71DCAF0, 16 bytes long.
 Data: <0 &#255;&#212;&#247;           > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000212D71DCD20, 16 bytes long.
 Data: <&#224; &#255;&#212;&#247;           > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000212D71DD3B0, 16 bytes long.
 Data: <  &#255;&#212;&#247;           > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000212D71DCA50, 16 bytes long.
 Data: <p &#255;&#212;&#247;           > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000212D71DD1D0, 16 bytes long.
 Data: < &#192;&#253;&#212;&#247;           > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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