Task 38681945

Name test_867-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9846_0
Workunit 31623585
Created 27 Oct 2026, 5:56:56 UTC
Sent 27 Oct 2026, 5:56:59 UTC
Report deadline 1 Nov 2026, 5:56:59 UTC
Received 27 Oct 2026, 6:32:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 34 min 50 sec
CPU time 31 min 54 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 709.09 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>
06:58:48 (9048): wrapper (7.9.26016): starting
06:58:48 (9048): 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
06:58:49 (9048): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:58:49 (9048): 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\2\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\2\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
07:32:02 (9048): C:/Windows/system32/cmd.exe exited; CPU time 1914.109375
07:32:02 (9048): 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: 28110297 bytes.
Dumping objects ->
{3835268} normal block at 0x000001965FC70B50, 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 0x000001965FDB5DD0, 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 0x000001965FDB5F50, 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 0x000001965FDB5AD0, 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 0x000001965FDB6010, 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 0x000001965FC71020, 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 0x000001965FD7DCF0, 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 0x000001965E1F6C70, 8 bytes long.
 Data: <  &#182;_&#150;   > 00 00 B6 5F 96 01 00 00 
{3834558} normal block at 0x000001965FD7D6C0, 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 0x000001965E1F6DB0, 8 bytes long.
 Data: <&#176;'&#207;_&#150;   > B0 27 CF 5F 96 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001965E201430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001965E1E5EC0, 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 0x000001965E202650, 16 bytes long.
 Data: <(9 ^&#150;           > 28 39 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001965E202970, 16 bytes long.
 Data: < 9 ^&#150;           > 00 39 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001965E1FDAE0, 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 0x000001965E202F60, 16 bytes long.
 Data: <&#216;8 ^&#150;           > D8 38 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001965E202E20, 16 bytes long.
 Data: <&#176;8 ^&#150;           > B0 38 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001965E202380, 16 bytes long.
 Data: < 8 ^&#150;           > 88 38 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001965E202920, 16 bytes long.
 Data: <`8 ^&#150;           > 60 38 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001965E1FB9D0, 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 0x000001965E202BF0, 16 bytes long.
 Data: <X^ ^&#150;           > 58 5E 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001965E1FDA80, 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 0x000001965E2025B0, 16 bytes long.
 Data: <0^ ^&#150;           > 30 5E 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001965E202D30, 16 bytes long.
 Data: < ^ ^&#150;           > 08 5E 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001965E202AB0, 16 bytes long.
 Data: <&#224;] ^&#150;           > E0 5D 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001965E2022E0, 16 bytes long.
 Data: <&#184;] ^&#150;           > B8 5D 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001965E202DD0, 16 bytes long.
 Data: < ] ^&#150;           > 90 5D 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001965E203050, 16 bytes long.
 Data: <h] ^&#150;           > 68 5D 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001965E1FCEE0, 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 0x000001965E202600, 16 bytes long.
 Data: <@] ^&#150;           > 40 5D 1E 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001965E1E5D40, 320 bytes long.
 Data: < & ^&#150;   &#224;&#206; ^&#150;   > 00 26 20 5E 96 01 00 00 E0 CE 1F 5E 96 01 00 00 
{271} normal block at 0x000001965E2030A0, 16 bytes long.
 Data: <@8 ^&#150;           > 40 38 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001965E202790, 16 bytes long.
 Data: < 8 ^&#150;           > 18 38 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001965E1FD3C0, 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 0x000001965E202CE0, 16 bytes long.
 Data: <&#240;7 ^&#150;           > F0 37 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001965E1FD780, 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 0x000001965E202560, 16 bytes long.
 Data: <87 ^&#150;           > 38 37 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001965E203140, 16 bytes long.
 Data: < 7 ^&#150;           > 10 37 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001965E202D80, 16 bytes long.
 Data: <&#232;6 ^&#150;           > E8 36 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001965E2029C0, 16 bytes long.
 Data: <&#192;6 ^&#150;           > C0 36 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001965E2026A0, 16 bytes long.
 Data: < 6 ^&#150;           > 98 36 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001965E202BA0, 16 bytes long.
 Data: <p6 ^&#150;           > 70 36 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001965E202290, 16 bytes long.
 Data: < &#181; ^&#150;           > 00 B5 1F 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001965E1FB500, 40 bytes long.
 Data: < " ^&#150;     &#199;_&#150;   > 90 22 20 5E 96 01 00 00 20 10 C7 5F 96 01 00 00 
{257} normal block at 0x000001965E203000, 16 bytes long.
 Data: <P6 ^&#150;           > 50 36 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001965E202A60, 16 bytes long.
 Data: <(6 ^&#150;           > 28 36 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001965E1FD720, 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 0x000001965E202A10, 16 bytes long.
 Data: < 6 ^&#150;           > 00 36 20 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001965E203600, 992 bytes long.
 Data: < * ^&#150;    &#215; ^&#150;   > 10 2A 20 5E 96 01 00 00 20 D7 1F 5E 96 01 00 00 
{89} normal block at 0x000001965E1FD300, 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 0x000001965E1F66D0, 16 bytes long.
 Data: <P&#182; ^&#150;           > 50 B6 1F 5E 96 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001965E1FB650, 40 bytes long.
 Data: <&#208;f ^&#150;    &#211; ^&#150;   > D0 66 1F 5E 96 01 00 00 00 D3 1F 5E 96 01 00 00 
{66} normal block at 0x000001965E1F69F0, 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 0x000001965E1F6B80, 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 0x000001965E1F70D0, 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 0x000001965E1F7170, 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 0x000001965E1F68B0, 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 0x000001965E1F6D10, 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 0x000001965E1F7080, 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 0x000001965E1F74E0, 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 0x000001965E1F6860, 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 0x000001965E1F7490, 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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