Task 38697620

Name test_911-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3699_0
Workunit 31638181
Created 1 Nov 2026, 18:25:38 UTC
Sent 1 Nov 2026, 18:25:41 UTC
Report deadline 6 Nov 2026, 18:25:41 UTC
Received 1 Nov 2026, 18:48:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653334
Run time 20 min 7 sec
CPU time 19 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.05 MB
Peak swap size 5.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:27:59 (32672): wrapper (7.9.26016): starting
07:27:59 (32672): 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
07:28:00 (32672): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:28:00 (32672): 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\6\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\6\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
07:47:44 (32672): C:/Windows/system32/cmd.exe exited; CPU time 1149.125000
07:47:44 (32672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26999107 bytes.
Dumping objects ->
{3835618} normal block at 0x000001D7E8CACDD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x000001D7E8CACAC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x000001D7E8CAC740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x000001D7E70949C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x000001D7E7094CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x000001D7E8CFACC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001D7E8D0E5B0, 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) : {3835529} normal block at 0x000001D7E708F430, 8 bytes long.
 Data: <   &#231;&#215;   > 00 00 06 E7 D7 01 00 00 
{3834723} normal block at 0x000001D7E8D0E500, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001D7E708ED00, 8 bytes long.
 Data: <&#176;&#227;&#186;&#232;&#215;   > B0 E3 BA E8 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D7E7090C30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D7E7085F90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001D7E7095850, 16 bytes long.
 Data: < f	&#231;&#215;           > 88 66 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D7E7095800, 16 bytes long.
 Data: <`f	&#231;&#215;           > 60 66 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D7E70906A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001D7E7096200, 16 bytes long.
 Data: <8f	&#231;&#215;           > 38 66 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D7E7095B70, 16 bytes long.
 Data: < f	&#231;&#215;           > 10 66 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D7E70961B0, 16 bytes long.
 Data: <&#232;e	&#231;&#215;           > E8 65 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D7E70953F0, 16 bytes long.
 Data: <&#192;e	&#231;&#215;           > C0 65 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D7E7094E20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001D7E7095710, 16 bytes long.
 Data: <&#184;&#230; &#231;&#215;           > B8 E6 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D7E70905E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001D7E7096070, 16 bytes long.
 Data: < &#230; &#231;&#215;           > 90 E6 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D7E7095FD0, 16 bytes long.
 Data: <h&#230; &#231;&#215;           > 68 E6 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D7E7095B20, 16 bytes long.
 Data: <@&#230; &#231;&#215;           > 40 E6 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D7E7095DF0, 16 bytes long.
 Data: < &#230; &#231;&#215;           > 18 E6 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D7E7095670, 16 bytes long.
 Data: <&#240;&#229; &#231;&#215;           > F0 E5 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D7E7095F80, 16 bytes long.
 Data: <&#200;&#229; &#231;&#215;           > C8 E5 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D7E70900A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001D7E70960C0, 16 bytes long.
 Data: <&#160;&#229; &#231;&#215;           > A0 E5 08 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D7E708E5A0, 320 bytes long.
 Data: <&#192;`	&#231;&#215;   &#160; 	&#231;&#215;   > C0 60 09 E7 D7 01 00 00 A0 00 09 E7 D7 01 00 00 
{276} normal block at 0x000001D7E7095AD0, 16 bytes long.
 Data: <&#160;e	&#231;&#215;           > A0 65 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D7E70958A0, 16 bytes long.
 Data: <xe	&#231;&#215;           > 78 65 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D7E7090340, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001D7E7095BC0, 16 bytes long.
 Data: <Pe	&#231;&#215;           > 50 65 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7E7090580, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001D7E70962A0, 16 bytes long.
 Data: < d	&#231;&#215;           > 98 64 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D7E7095E40, 16 bytes long.
 Data: <pd	&#231;&#215;           > 70 64 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D7E7095D50, 16 bytes long.
 Data: <Hd	&#231;&#215;           > 48 64 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D7E7095990, 16 bytes long.
 Data: < d	&#231;&#215;           > 20 64 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D7E7096020, 16 bytes long.
 Data: <&#248;c	&#231;&#215;           > F8 63 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D7E7096110, 16 bytes long.
 Data: <&#208;c	&#231;&#215;           > D0 63 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7E70959E0, 16 bytes long.
 Data: < K	&#231;&#215;           > 10 4B 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D7E7094B10, 40 bytes long.
 Data: <&#224;Y	&#231;&#215;   &#192;&#172;&#207;&#232;&#215;   > E0 59 09 E7 D7 01 00 00 C0 AC CF E8 D7 01 00 00 
{262} normal block at 0x000001D7E7095620, 16 bytes long.
 Data: <&#176;c	&#231;&#215;           > B0 63 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D7E7096160, 16 bytes long.
 Data: < c	&#231;&#215;           > 88 63 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D7E7090520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001D7E7096250, 16 bytes long.
 Data: <`c	&#231;&#215;           > 60 63 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D7E7096360, 992 bytes long.
 Data: <Pb	&#231;&#215;     	&#231;&#215;   > 50 62 09 E7 D7 01 00 00 20 05 09 E7 D7 01 00 00 
{94} normal block at 0x000001D7E70903A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001D7E708F070, 16 bytes long.
 Data: < G	&#231;&#215;           > 90 47 09 E7 D7 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D7E7094790, 40 bytes long.
 Data: <p&#240; &#231;&#215;   &#160; 	&#231;&#215;   > 70 F0 08 E7 D7 01 00 00 A0 03 09 E7 D7 01 00 00 
{71} normal block at 0x000001D7E708F750, 16 bytes long.
 Data: < &#234;r&#254;&#246;           > 80 EA 72 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D7E708ECB0, 16 bytes long.
 Data: <@&#233;r&#254;&#246;           > 40 E9 72 FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D7E708EC60, 16 bytes long.
 Data: <&#248;Wo&#254;&#246;           > F8 57 6F FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D7E708F2F0, 16 bytes long.
 Data: <&#216;Wo&#254;&#246;           > D8 57 6F FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D7E708F3E0, 16 bytes long.
 Data: <P o&#254;&#246;           > 50 04 6F FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D7E708F020, 16 bytes long.
 Data: <0 o&#254;&#246;           > 30 04 6F FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D7E708F660, 16 bytes long.
 Data: <&#224; o&#254;&#246;           > E0 02 6F FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D7E708E8A0, 16 bytes long.
 Data: <  o&#254;&#246;           > 10 04 6F FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D7E708F520, 16 bytes long.
 Data: <p o&#254;&#246;           > 70 04 6F FE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D7E708EBC0, 16 bytes long.
 Data: < &#192;m&#254;&#246;           > 18 C0 6D FE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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