Task 38685011

Name test_305-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5899_0
Workunit 31626503
Created 27 Oct 2026, 19:00:36 UTC
Sent 27 Oct 2026, 19:00:40 UTC
Report deadline 1 Nov 2026, 19:00:40 UTC
Received 27 Oct 2026, 20:10:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 34 min 16 sec
CPU time 30 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.96 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:37:11 (6392): wrapper (7.9.26016): starting
20:37:11 (6392): 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
20:37:12 (6392): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:37:12 (6392): 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 'D:\BoincData\slots\1\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 'D:\BoincData\slots\1\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
21:09:52 (6392): C:/Windows/system32/cmd.exe exited; CPU time 1823.765625
21:09:52 (6392): 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: 28210737 bytes.
Dumping objects ->
{3835268} normal block at 0x0000019BB7BE0DF0, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835257} normal block at 0x0000019BB7D25D70, 32 bytes long.
 Data: <HOME=D:\BoincDat> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835246} normal block at 0x0000019BB7D25FB0, 32 bytes long.
 Data: <TMP=D:\BoincData> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835235} normal block at 0x0000019BB7D25C50, 32 bytes long.
 Data: <TEMP=D:\BoincDat> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835224} normal block at 0x0000019BB7D258F0, 32 bytes long.
 Data: <TMPDIR=D:\BoincD> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 44 
{3835193} normal block at 0x0000019BB7BE0AE0, 48 bytes long.
 Data: <PATH=D:\BoincDat> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 44 61 74 
{3835182} normal block at 0x0000019BB7CED980, 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) : {3835179} normal block at 0x0000019BB6126EA0, 8 bytes long.
 Data: <   &#182;&#155;   > 00 00 0E B6 9B 01 00 00 
{3834558} normal block at 0x0000019BB7CEDC40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000019BB6127440, 8 bytes long.
 Data: <P/&#198;&#183;&#155;   > 50 2F C6 B7 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000019BB6131430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019BB6115EC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000019BB6132FB0, 16 bytes long.
 Data: <(9 &#182;&#155;           > 28 39 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019BB6132420, 16 bytes long.
 Data: < 9 &#182;&#155;           > 00 39 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019BB612DA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000019BB6132790, 16 bytes long.
 Data: <&#216;8 &#182;&#155;           > D8 38 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019BB61329C0, 16 bytes long.
 Data: <&#176;8 &#182;&#155;           > B0 38 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019BB6132740, 16 bytes long.
 Data: < 8 &#182;&#155;           > 88 38 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019BB61322E0, 16 bytes long.
 Data: <`8 &#182;&#155;           > 60 38 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019BB612B6C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000019BB61326F0, 16 bytes long.
 Data: <X^ &#182;&#155;           > 58 5E 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019BB612D840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000019BB6133190, 16 bytes long.
 Data: <0^ &#182;&#155;           > 30 5E 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019BB6133140, 16 bytes long.
 Data: < ^ &#182;&#155;           > 08 5E 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019BB6132290, 16 bytes long.
 Data: <&#224;] &#182;&#155;           > E0 5D 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019BB61330F0, 16 bytes long.
 Data: <&#184;] &#182;&#155;           > B8 5D 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019BB6132F10, 16 bytes long.
 Data: < ] &#182;&#155;           > 90 5D 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019BB6132F60, 16 bytes long.
 Data: <h] &#182;&#155;           > 68 5D 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019BB612D3C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000019BB6132B50, 16 bytes long.
 Data: <@] &#182;&#155;           > 40 5D 11 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019BB6115D40, 320 bytes long.
 Data: <P+ &#182;&#155;   &#192;&#211; &#182;&#155;   > 50 2B 13 B6 9B 01 00 00 C0 D3 12 B6 9B 01 00 00 
{271} normal block at 0x0000019BB61330A0, 16 bytes long.
 Data: <@8 &#182;&#155;           > 40 38 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019BB6132970, 16 bytes long.
 Data: < 8 &#182;&#155;           > 18 38 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019BB612DCC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000019BB6132470, 16 bytes long.
 Data: <&#240;7 &#182;&#155;           > F0 37 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019BB612D960, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000019BB6132330, 16 bytes long.
 Data: <87 &#182;&#155;           > 38 37 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019BB6132880, 16 bytes long.
 Data: < 7 &#182;&#155;           > 10 37 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019BB61325B0, 16 bytes long.
 Data: <&#232;6 &#182;&#155;           > E8 36 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019BB6132B00, 16 bytes long.
 Data: <&#192;6 &#182;&#155;           > C0 36 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019BB6132CE0, 16 bytes long.
 Data: < 6 &#182;&#155;           > 98 36 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019BB6132650, 16 bytes long.
 Data: <p6 &#182;&#155;           > 70 36 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019BB6133000, 16 bytes long.
 Data: <@&#186; &#182;&#155;           > 40 BA 12 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019BB612BA40, 40 bytes long.
 Data: < 0 &#182;&#155;   &#224; &#190;&#183;&#155;   > 00 30 13 B6 9B 01 00 00 E0 0A BE B7 9B 01 00 00 
{257} normal block at 0x0000019BB6133050, 16 bytes long.
 Data: <P6 &#182;&#155;           > 50 36 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019BB6132510, 16 bytes long.
 Data: <(6 &#182;&#155;           > 28 36 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000019BB612CDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000019BB6132C40, 16 bytes long.
 Data: < 6 &#182;&#155;           > 00 36 13 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000019BB6133600, 992 bytes long.
 Data: <@, &#182;&#155;   &#192;&#205; &#182;&#155;   > 40 2C 13 B6 9B 01 00 00 C0 CD 12 B6 9B 01 00 00 
{89} normal block at 0x0000019BB612D720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000019BB6126900, 16 bytes long.
 Data: < &#181; &#182;&#155;           > 00 B5 12 B6 9B 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000019BB612B500, 40 bytes long.
 Data: < i &#182;&#155;    &#215; &#182;&#155;   > 00 69 12 B6 9B 01 00 00 20 D7 12 B6 9B 01 00 00 
{66} normal block at 0x0000019BB6126DB0, 16 bytes long.
 Data: < &#234;x&#235;&#246;           > 80 EA 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019BB61266D0, 16 bytes long.
 Data: <@&#233;x&#235;&#246;           > 40 E9 78 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019BB6127120, 16 bytes long.
 Data: <&#248;Wu&#235;&#246;           > F8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019BB6126D10, 16 bytes long.
 Data: <&#216;Wu&#235;&#246;           > D8 57 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019BB61273F0, 16 bytes long.
 Data: <P u&#235;&#246;           > 50 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019BB61268B0, 16 bytes long.
 Data: <0 u&#235;&#246;           > 30 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019BB6127080, 16 bytes long.
 Data: <&#224; u&#235;&#246;           > E0 02 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019BB6127210, 16 bytes long.
 Data: <  u&#235;&#246;           > 10 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019BB61270D0, 16 bytes long.
 Data: <p u&#235;&#246;           > 70 04 75 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019BB61271C0, 16 bytes long.
 Data: < &#192;s&#235;&#246;           > 18 C0 73 EB F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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