Task 38697644

Name test_288-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND8924_0
Workunit 31638204
Created 1 Nov 2026, 18:52:04 UTC
Sent 1 Nov 2026, 18:52:07 UTC
Report deadline 6 Nov 2026, 18:52:07 UTC
Received 1 Nov 2026, 19:16:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639142
Run time 23 min 26 sec
CPU time 20 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.14 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:54:12 (11452): wrapper (7.9.26016): starting
19:54:12 (11452): 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
19:54:14 (11452): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:54:14 (11452): 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\33\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\33\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
20:15:50 (11452): C:/Windows/system32/cmd.exe exited; CPU time 1242.546875
20:15:50 (11452): 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: 24698327 bytes.
Dumping objects ->
{3835472} normal block at 0x00000226362B93E0, 48 bytes long.
 Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835461} normal block at 0x00000226380C65A0, 32 bytes long.
 Data: <HOME=D:\BOINCDAT> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835450} normal block at 0x00000226380C6960, 32 bytes long.
 Data: <TMP=D:\BOINCDATA> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 41 
{3835439} normal block at 0x00000226380C5B20, 32 bytes long.
 Data: <TEMP=D:\BOINCDAT> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835428} normal block at 0x00000226380C6420, 32 bytes long.
 Data: <TMPDIR=D:\BOINCD> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 44 
{3835397} normal block at 0x00000226362B9680, 48 bytes long.
 Data: <PATH=D:\BOINCDAT> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 41 54 
{3835386} normal block at 0x000002263808F650, 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) : {3835383} normal block at 0x0000022636290980, 8 bytes long.
 Data: <  x6&   > 00 00 78 36 26 02 00 00 
{3834666} normal block at 0x000002263808F0D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x0000022636290A20, 8 bytes long.
 Data: <&#224;&#229;66&   > E0 E5 36 36 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000022636287690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022636280060, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000226362963E0, 16 bytes long.
 Data: < k)6&           > 88 6B 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022636296520, 16 bytes long.
 Data: <`k)6&           > 60 6B 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022636291AB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000226362962F0, 16 bytes long.
 Data: <8k)6&           > 38 6B 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000226362962A0, 16 bytes long.
 Data: < k)6&           > 10 6B 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000226362961B0, 16 bytes long.
 Data: <&#232;j)6&           > E8 6A 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022636295A30, 16 bytes long.
 Data: <&#192;j)6&           > C0 6A 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000226362943D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000022636296160, 16 bytes long.
 Data: <x (6&           > 78 0F 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000226362919F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000226362958A0, 16 bytes long.
 Data: <P (6&           > 50 0F 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000226362965C0, 16 bytes long.
 Data: <( (6&           > 28 0F 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022636296250, 16 bytes long.
 Data: <  (6&           > 00 0F 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022636296660, 16 bytes long.
 Data: <&#216; (6&           > D8 0E 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000226362967F0, 16 bytes long.
 Data: <&#176; (6&           > B0 0E 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022636295F30, 16 bytes long.
 Data: <  (6&           > 88 0E 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022636290F70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000022636295F80, 16 bytes long.
 Data: <` (6&           > 60 0E 28 36 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022636280E60, 320 bytes long.
 Data: < _)6&   p )6&   > 80 5F 29 36 26 02 00 00 70 0F 29 36 26 02 00 00 
{281} normal block at 0x0000022636295C60, 16 bytes long.
 Data: <&#160;j)6&           > A0 6A 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022636295EE0, 16 bytes long.
 Data: <xj)6&           > 78 6A 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000226362915D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000226362960C0, 16 bytes long.
 Data: <Pj)6&           > 50 6A 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022636291990, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000226362964D0, 16 bytes long.
 Data: < i)6&           > 98 69 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022636295E40, 16 bytes long.
 Data: <pi)6&           > 70 69 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022636295940, 16 bytes long.
 Data: <Hi)6&           > 48 69 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022636296390, 16 bytes long.
 Data: < i)6&           > 20 69 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022636296480, 16 bytes long.
 Data: <&#248;h)6&           > F8 68 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022636295E90, 16 bytes long.
 Data: <&#208;h)6&           > D0 68 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022636296110, 16 bytes long.
 Data: <&#160;A)6&           > A0 41 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000226362941A0, 40 bytes long.
 Data: < a)6&    &#150;+6&   > 10 61 29 36 26 02 00 00 80 96 2B 36 26 02 00 00 
{267} normal block at 0x00000226362959E0, 16 bytes long.
 Data: <&#176;h)6&           > B0 68 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022636295B70, 16 bytes long.
 Data: < h)6&           > 88 68 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022636291CF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000022636296700, 16 bytes long.
 Data: <`h)6&           > 60 68 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022636296860, 992 bytes long.
 Data: < g)6&   &#240; )6&   > 00 67 29 36 26 02 00 00 F0 1C 29 36 26 02 00 00 
{99} normal block at 0x0000022636291090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x0000022636290750, 16 bytes long.
 Data: < F)6&           > 00 46 29 36 26 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000022636294600, 40 bytes long.
 Data: <P )6&     )6&   > 50 07 29 36 26 02 00 00 90 10 29 36 26 02 00 00 
{76} normal block at 0x00000226362903E0, 16 bytes long.
 Data: < &#234;Eo&#247;           > 80 EA 45 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022636290A70, 16 bytes long.
 Data: <@&#233;Eo&#247;           > 40 E9 45 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022636290700, 16 bytes long.
 Data: <&#248;WBo&#247;           > F8 57 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000226362906B0, 16 bytes long.
 Data: <&#216;WBo&#247;           > D8 57 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002263628FE90, 16 bytes long.
 Data: <P Bo&#247;           > 50 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022636290390, 16 bytes long.
 Data: <0 Bo&#247;           > 30 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022636290340, 16 bytes long.
 Data: <&#224; Bo&#247;           > E0 02 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022636290890, 16 bytes long.
 Data: <  Bo&#247;           > 10 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022636290D90, 16 bytes long.
 Data: <p Bo&#247;           > 70 04 42 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022636290520, 16 bytes long.
 Data: < &#192;@o&#247;           > 18 C0 40 6F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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