Task 38662669

Name test_465-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8796_1
Workunit 31605832
Created 24 Oct 2026, 20:08:18 UTC
Sent 24 Oct 2026, 20:08:27 UTC
Report deadline 29 Oct 2026, 20:08:27 UTC
Received 24 Oct 2026, 21:08:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 32 min 25 sec
CPU time 32 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.23 MB
Peak swap size 3.54 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:22:40 (9040): wrapper (7.9.26016): starting
04:22:40 (9040): 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
04:22:42 (9040): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:22:42 (9040): 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:\ProgramData\BOINC\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 'D:\ProgramData\BOINC\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
04:55:29 (9040): C:/Windows/system32/cmd.exe exited; CPU time 1945.078125
04:55:29 (9040): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25525389 bytes.
Dumping objects ->
{3835056} normal block at 0x0000012BA4E2E790, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x0000012BA4E2E720, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x0000012BA4E2EF00, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x0000012BA4E2E170, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x0000012BA339BD80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x0000012BA4F65F40, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x0000012BA339A2B0, 200 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) : {3834967} normal block at 0x0000012BA3397FA0, 8 bytes long.
 Data: <  6&#163;+   > 00 00 36 A3 2B 01 00 00 
{3834466} normal block at 0x0000012BA339AA20, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000012BA3397AA0, 8 bytes long.
 Data: < &#169;8&#163;+   > 90 A9 38 A3 2B 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000012BA33A30C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012BA338D3D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000012BA33A49C0, 16 bytes long.
 Data: <&#184;Q:&#163;+           > B8 51 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012BA33A4D80, 16 bytes long.
 Data: < Q:&#163;+           > 90 51 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012BA339E1C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000012BA33A47E0, 16 bytes long.
 Data: <hQ:&#163;+           > 68 51 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012BA33A4100, 16 bytes long.
 Data: <@Q:&#163;+           > 40 51 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012BA33A3F70, 16 bytes long.
 Data: < Q:&#163;+           > 18 51 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012BA33A4240, 16 bytes long.
 Data: <&#240;P:&#163;+           > F0 50 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012BA339BF40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000012BA33A4D30, 16 bytes long.
 Data: < Z8&#163;+           > 98 5A 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012BA339E5E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000012BA33A4CE0, 16 bytes long.
 Data: <pZ8&#163;+           > 70 5A 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000012BA33A4600, 16 bytes long.
 Data: <HZ8&#163;+           > 48 5A 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012BA33A45B0, 16 bytes long.
 Data: < Z8&#163;+           > 20 5A 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012BA33A46F0, 16 bytes long.
 Data: <&#248;Y8&#163;+           > F8 59 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012BA33A46A0, 16 bytes long.
 Data: <&#208;Y8&#163;+           > D0 59 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012BA33A4880, 16 bytes long.
 Data: <&#168;Y8&#163;+           > A8 59 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012BA339E760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000012BA33A3ED0, 16 bytes long.
 Data: < Y8&#163;+           > 80 59 38 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012BA3385980, 320 bytes long.
 Data: <&#208;>:&#163;+   `&#231;9&#163;+   > D0 3E 3A A3 2B 01 00 00 60 E7 39 A3 2B 01 00 00 
{267} normal block at 0x0000012BA33A4510, 16 bytes long.
 Data: <&#208;P:&#163;+           > D0 50 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012BA33A4830, 16 bytes long.
 Data: <&#168;P:&#163;+           > A8 50 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012BA339E160, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000012BA33A40B0, 16 bytes long.
 Data: < P:&#163;+           > 80 50 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012BA339EDC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000012BA33A4970, 16 bytes long.
 Data: <&#200;O:&#163;+           > C8 4F 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000012BA33A4BA0, 16 bytes long.
 Data: <&#160;O:&#163;+           > A0 4F 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012BA33A43D0, 16 bytes long.
 Data: <xO:&#163;+           > 78 4F 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012BA33A4330, 16 bytes long.
 Data: <PO:&#163;+           > 50 4F 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000012BA33A4C90, 16 bytes long.
 Data: <(O:&#163;+           > 28 4F 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000012BA33A4560, 16 bytes long.
 Data: < O:&#163;+           > 00 4F 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000012BA33A44C0, 16 bytes long.
 Data: < &#193;9&#163;+           > 00 C1 39 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000012BA339C100, 40 bytes long.
 Data: <&#192;D:&#163;+   @_&#246;&#164;+   > C0 44 3A A3 2B 01 00 00 40 5F F6 A4 2B 01 00 00 
{253} normal block at 0x0000012BA33A4650, 16 bytes long.
 Data: <&#224;N:&#163;+           > E0 4E 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000012BA33A4470, 16 bytes long.
 Data: <&#184;N:&#163;+           > B8 4E 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000012BA339E940, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000012BA33A41F0, 16 bytes long.
 Data: < N:&#163;+           > 90 4E 3A A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000012BA33A4E90, 992 bytes long.
 Data: <&#240;A:&#163;+   @&#233;9&#163;+   > F0 41 3A A3 2B 01 00 00 40 E9 39 A3 2B 01 00 00 
{85} normal block at 0x0000012BA339E040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000012BA3397A00, 16 bytes long.
 Data: <&#160;&#195;9&#163;+           > A0 C3 39 A3 2B 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000012BA339C3A0, 40 bytes long.
 Data: < z9&#163;+   @&#224;9&#163;+   > 00 7A 39 A3 2B 01 00 00 40 E0 39 A3 2B 01 00 00 
{62} normal block at 0x0000012BA33975A0, 16 bytes long.
 Data: < &#234;54&#247;           > 80 EA 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012BA33976E0, 16 bytes long.
 Data: <@&#233;54&#247;           > 40 E9 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000012BA3397D20, 16 bytes long.
 Data: <&#248;W24&#247;           > F8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000012BA3397C30, 16 bytes long.
 Data: <&#216;W24&#247;           > D8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000012BA3397910, 16 bytes long.
 Data: <P 24&#247;           > 50 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000012BA3397F50, 16 bytes long.
 Data: <0 24&#247;           > 30 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000012BA3397820, 16 bytes long.
 Data: <&#224; 24&#247;           > E0 02 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000012BA3397A50, 16 bytes long.
 Data: <  24&#247;           > 10 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000012BA3397F00, 16 bytes long.
 Data: <p 24&#247;           > 70 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000012BA3397DC0, 16 bytes long.
 Data: < &#192;04&#247;           > 18 C0 30 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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