Task 38689376

Name test_668-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9757_0
Workunit 31630639
Created 28 Oct 2026, 20:35:04 UTC
Sent 28 Oct 2026, 20:35:06 UTC
Report deadline 2 Nov 2026, 20:35:06 UTC
Received 28 Oct 2026, 21:18:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630577
Run time 41 min 56 sec
CPU time 33 min 24 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 703.19 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:37:00 (9652): wrapper (7.9.26016): starting
21:37:00 (9652): 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
21:37:02 (9652): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:37:02 (9652): 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\15\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\15\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
22:17:14 (9652): C:/Windows/system32/cmd.exe exited; CPU time 2004.312500
22:17:14 (9652): 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: 37391485 bytes.
Dumping objects ->
{3835268} normal block at 0x0000023C492D0F40, 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 0x0000023C494957D0, 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 0x0000023C49495530, 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 0x0000023C49495110, 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 0x0000023C494943F0, 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 0x0000023C492D13A0, 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 0x0000023C4945DAE0, 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 0x0000023C47866D00, 8 bytes long.
 Data: <  .I<   > 00 00 2E 49 3C 02 00 00 
{3834558} normal block at 0x0000023C4945D6C0, 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 0x0000023C47866FD0, 8 bytes long.
 Data: < &#168;&#133;G<   > 90 A8 85 47 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000023C47871400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023C47855EC0, 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 0x0000023C47872C60, 16 bytes long.
 Data: <&#248;8&#135;G<           > F8 38 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023C47872210, 16 bytes long.
 Data: <&#208;8&#135;G<           > D0 38 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023C4786D750, 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 0x0000023C47872BC0, 16 bytes long.
 Data: <&#168;8&#135;G<           > A8 38 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023C478730C0, 16 bytes long.
 Data: < 8&#135;G<           > 80 38 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023C47873160, 16 bytes long.
 Data: <X8&#135;G<           > 58 38 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023C47872710, 16 bytes long.
 Data: <08&#135;G<           > 30 38 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023C4786B3F0, 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 0x0000023C47872B70, 16 bytes long.
 Data: <X^&#133;G<           > 58 5E 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023C4786D9F0, 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 0x0000023C47872260, 16 bytes long.
 Data: <0^&#133;G<           > 30 5E 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023C47872FD0, 16 bytes long.
 Data: < ^&#133;G<           > 08 5E 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023C47872530, 16 bytes long.
 Data: <&#224;]&#133;G<           > E0 5D 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023C47872DF0, 16 bytes long.
 Data: <&#184;]&#133;G<           > B8 5D 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023C47872B20, 16 bytes long.
 Data: < ]&#133;G<           > 90 5D 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023C47873110, 16 bytes long.
 Data: <h]&#133;G<           > 68 5D 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023C4786D870, 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 0x0000023C47872C10, 16 bytes long.
 Data: <@]&#133;G<           > 40 5D 85 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023C47855D40, 320 bytes long.
 Data: < ,&#135;G<   p&#216;&#134;G<   > 10 2C 87 47 3C 02 00 00 70 D8 86 47 3C 02 00 00 
{271} normal block at 0x0000023C47872800, 16 bytes long.
 Data: < 8&#135;G<           > 10 38 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023C478722B0, 16 bytes long.
 Data: <&#232;7&#135;G<           > E8 37 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023C4786D450, 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 0x0000023C47872AD0, 16 bytes long.
 Data: <&#192;7&#135;G<           > C0 37 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023C4786D4B0, 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 0x0000023C478729E0, 16 bytes long.
 Data: < 7&#135;G<           > 08 37 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023C47872A30, 16 bytes long.
 Data: <&#224;6&#135;G<           > E0 36 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023C47872A80, 16 bytes long.
 Data: <&#184;6&#135;G<           > B8 36 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023C47872E90, 16 bytes long.
 Data: < 6&#135;G<           > 90 36 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023C47872D50, 16 bytes long.
 Data: <h6&#135;G<           > 68 36 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023C47872990, 16 bytes long.
 Data: <@6&#135;G<           > 40 36 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023C478727B0, 16 bytes long.
 Data: < &#179;&#134;G<           > 80 B3 86 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023C4786B380, 40 bytes long.
 Data: <&#176;'&#135;G<   &#160; -I<   > B0 27 87 47 3C 02 00 00 A0 13 2D 49 3C 02 00 00 
{257} normal block at 0x0000023C47872D00, 16 bytes long.
 Data: < 6&#135;G<           > 20 36 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023C47873020, 16 bytes long.
 Data: <&#248;5&#135;G<           > F8 35 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023C4786DAB0, 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 0x0000023C47872F30, 16 bytes long.
 Data: <&#208;5&#135;G<           > D0 35 87 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023C478735D0, 992 bytes long.
 Data: <0/&#135;G<   &#176;&#218;&#134;G<   > 30 2F 87 47 3C 02 00 00 B0 DA 86 47 3C 02 00 00 
{89} normal block at 0x0000023C4786CD90, 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 0x0000023C47867160, 16 bytes long.
 Data: <&#192;&#184;&#134;G<           > C0 B8 86 47 3C 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000023C4786B8C0, 40 bytes long.
 Data: <`q&#134;G<    &#205;&#134;G<   > 60 71 86 47 3C 02 00 00 90 CD 86 47 3C 02 00 00 
{66} normal block at 0x0000023C47867480, 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 0x0000023C47866A80, 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 0x0000023C47867110, 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 0x0000023C47866940, 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 0x0000023C47866CB0, 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 0x0000023C47866EE0, 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 0x0000023C47867430, 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 0x0000023C47866850, 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 0x0000023C47866E90, 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 0x0000023C47866800, 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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