Task 38680500

Name test_467-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2927_0
Workunit 31622219
Created 27 Oct 2026, 0:12:12 UTC
Sent 27 Oct 2026, 0:12:17 UTC
Report deadline 1 Nov 2026, 0:12:17 UTC
Received 27 Oct 2026, 0:53:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 19 min 5 sec
CPU time 17 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.13 MB
Peak swap size 10.05 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:34:48 (344): wrapper (7.9.26016): starting
09:34:48 (344): 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
09:34:50 (344): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:34:50 (344): 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\18\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\18\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
09:53:08 (344): C:/Windows/system32/cmd.exe exited; CPU time 1062.921875
09:53:08 (344): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 21361243 bytes.
Dumping objects ->
{3835586} normal block at 0x000001735BA3DCE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x000001735BA3D960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000017359985920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x0000017359985840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x00000173599856F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x000001735BA8AE40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x000001735BA9D180, 100 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) : {3835497} normal block at 0x0000017359980340, 8 bytes long.
 Data: <   Ys   > 00 00 91 59 73 01 00 00 
{3834771} normal block at 0x000001735BA9D040, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x00000173599802F0, 8 bytes long.
 Data: <p &#165;Ys   > 70 EA A5 59 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000173599821A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001735996C780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000017359986680, 16 bytes long.
 Data: <Hd Ys           > 48 64 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017359986AE0, 16 bytes long.
 Data: < d Ys           > 20 64 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001735997DF10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000017359986860, 16 bytes long.
 Data: < c Ys           > F8 63 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017359986F40, 16 bytes long.
 Data: <&#208;c Ys           > D0 63 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017359986F90, 16 bytes long.
 Data: <&#168;c Ys           > A8 63 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017359986A90, 16 bytes long.
 Data: < c Ys           > 80 63 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017359985CA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000017359987170, 16 bytes long.
 Data: <x^ Ys           > 78 5E 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001735997DCD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000017359986D10, 16 bytes long.
 Data: <P^ Ys           > 50 5E 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000173599867C0, 16 bytes long.
 Data: <(^ Ys           > 28 5E 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017359986810, 16 bytes long.
 Data: < ^ Ys           > 00 5E 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017359986A40, 16 bytes long.
 Data: <&#216;] Ys           > D8 5D 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000173599865E0, 16 bytes long.
 Data: <&#176;] Ys           > B0 5D 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173599869F0, 16 bytes long.
 Data: < ] Ys           > 88 5D 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001735997E4B0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x0000017359986770, 16 bytes long.
 Data: <`] Ys           > 60 5D 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017359985D60, 320 bytes long.
 Data: <pg Ys   &#176;  Ys   > 70 67 98 59 73 01 00 00 B0 E4 97 59 73 01 00 00 
{277} normal block at 0x0000017359986720, 16 bytes long.
 Data: <`c Ys           > 60 63 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000173599866D0, 16 bytes long.
 Data: <8c Ys           > 38 63 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001735997DAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000017359986950, 16 bytes long.
 Data: < c Ys           > 10 63 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001735997DEB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000017359987120, 16 bytes long.
 Data: <Xb Ys           > 58 62 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000173599870D0, 16 bytes long.
 Data: <0b Ys           > 30 62 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017359986900, 16 bytes long.
 Data: < b Ys           > 08 62 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017359986590, 16 bytes long.
 Data: < a Ys           > E0 61 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017359987030, 16 bytes long.
 Data: <&#184;a Ys           > B8 61 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001735997FDF0, 16 bytes long.
 Data: < a Ys           > 90 61 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000173599804D0, 16 bytes long.
 Data: <pZ Ys           > 70 5A 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017359985A70, 40 bytes long.
 Data: <&#208;  Ys   @&#174;&#168;[s   > D0 04 98 59 73 01 00 00 40 AE A8 5B 73 01 00 00 
{263} normal block at 0x000001735997FCB0, 16 bytes long.
 Data: <pa Ys           > 70 61 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017359980020, 16 bytes long.
 Data: <Ha Ys           > 48 61 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001735997E7B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000017359980480, 16 bytes long.
 Data: < a Ys           > 20 61 98 59 73 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017359986120, 992 bytes long.
 Data: <   Ys   &#176;  Ys   > 80 04 98 59 73 01 00 00 B0 E7 97 59 73 01 00 00 
{95} normal block at 0x000001735997DF70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001735997F940, 16 bytes long.
 Data: <&#176;  Ys           > B0 E3 96 59 73 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001735996E3B0, 40 bytes long.
 Data: <@  Ys   p&#223; Ys   > 40 F9 97 59 73 01 00 00 70 DF 97 59 73 01 00 00 
{70} normal block at 0x000001735997F8F0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001735997FBC0, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017359980110, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001735997F760, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017359980250, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001735997FB70, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001735997FE90, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001735997F8A0, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017359980430, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001735997FB20, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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