Task 38681401

Name test_467-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2927_0
Workunit 31623067
Created 27 Oct 2026, 3:48:48 UTC
Sent 27 Oct 2026, 3:48:53 UTC
Report deadline 1 Nov 2026, 3:48:53 UTC
Received 27 Oct 2026, 4:46:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 22 sec
CPU time 16 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 811.22 MB
Peak swap size 10.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:26:39 (26392): wrapper (7.9.26016): starting
05:26:39 (26392): 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
05:26:41 (26392): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:26:41 (26392): 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\24\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\24\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
05:46:19 (26392): C:/Windows/system32/cmd.exe exited; CPU time 963.640625
05:46:19 (26392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 25770806 bytes.
Dumping objects ->
{3835471} normal block at 0x000001E147F9BD80, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001E147F9C870, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x000001E146236850, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x000001E146236770, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x000001E146236700, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x000001E147F85C10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000001E147F9F770, 85 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) : {3835382} normal block at 0x000001E14622DCF0, 8 bytes long.
 Data: <   F&#225;   > 00 00 20 46 E1 01 00 00 
{3834663} normal block at 0x000001E147F9F810, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001E14622D250, 8 bytes long.
 Data: <&#240;^#F&#225;   > F0 5E 23 46 E1 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001E1462309B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001E14621E7B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001E1462377E0, 16 bytes long.
 Data: <h #F&#225;           > 68 81 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E146237920, 16 bytes long.
 Data: <@ #F&#225;           > 40 81 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E14622ED20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001E146237240, 16 bytes long.
 Data: <  #F&#225;           > 18 81 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E146237790, 16 bytes long.
 Data: <&#240; #F&#225;           > F0 80 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E1462376F0, 16 bytes long.
 Data: <&#200; #F&#225;           > C8 80 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E1462371F0, 16 bytes long.
 Data: <&#160; #F&#225;           > A0 80 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E146236BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001E146237D80, 16 bytes long.
 Data: < &#184;!F&#225;           > 08 B8 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E14622EF60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001E146237830, 16 bytes long.
 Data: <&#224;&#183;!F&#225;           > E0 B7 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E146237B50, 16 bytes long.
 Data: <&#184;&#183;!F&#225;           > B8 B7 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E146237380, 16 bytes long.
 Data: < &#183;!F&#225;           > 90 B7 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E1462371A0, 16 bytes long.
 Data: <h&#183;!F&#225;           > 68 B7 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E146237150, 16 bytes long.
 Data: <@&#183;!F&#225;           > 40 B7 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E146237470, 16 bytes long.
 Data: < &#183;!F&#225;           > 18 B7 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E14622EC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001E146236FC0, 16 bytes long.
 Data: <&#240;&#182;!F&#225;           > F0 B6 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E14621B6F0, 320 bytes long.
 Data: <&#192;o#F&#225;   `&#236;"F&#225;   > C0 6F 23 46 E1 01 00 00 60 EC 22 46 E1 01 00 00 
{280} normal block at 0x000001E146237DD0, 16 bytes long.
 Data: <  #F&#225;           > 80 80 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E146237BA0, 16 bytes long.
 Data: <X #F&#225;           > 58 80 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E14622F560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001E1462373D0, 16 bytes long.
 Data: <0 #F&#225;           > 30 80 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E14622EB40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001E146237970, 16 bytes long.
 Data: <x #F&#225;           > 78 7F 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E146236F20, 16 bytes long.
 Data: <P #F&#225;           > 50 7F 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E146237420, 16 bytes long.
 Data: <( #F&#225;           > 28 7F 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E146236F70, 16 bytes long.
 Data: <  #F&#225;           > 00 7F 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E146237AB0, 16 bytes long.
 Data: <&#216;~#F&#225;           > D8 7E 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E1462376A0, 16 bytes long.
 Data: <&#176;~#F&#225;           > B0 7E 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E146237BF0, 16 bytes long.
 Data: <&#176;e#F&#225;           > B0 65 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E1462365B0, 40 bytes long.
 Data: <&#240;{#F&#225;    \&#248;G&#225;   > F0 7B 23 46 E1 01 00 00 10 5C F8 47 E1 01 00 00 
{266} normal block at 0x000001E146237100, 16 bytes long.
 Data: < ~#F&#225;           > 90 7E 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E146237060, 16 bytes long.
 Data: <h~#F&#225;           > 68 7E 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E14622F620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001E146237CE0, 16 bytes long.
 Data: <@~#F&#225;           > 40 7E 23 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E146237E40, 992 bytes long.
 Data: <&#224;|#F&#225;    &#246;"F&#225;   > E0 7C 23 46 E1 01 00 00 20 F6 22 46 E1 01 00 00 
{98} normal block at 0x000001E14622F680, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001E14622DF20, 16 bytes long.
 Data: <&#208;&#213;!F&#225;           > D0 D5 21 46 E1 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001E14621D5D0, 40 bytes long.
 Data: < &#223;"F&#225;    &#246;"F&#225;   > 20 DF 22 46 E1 01 00 00 80 F6 22 46 E1 01 00 00 
{75} normal block at 0x000001E14622D8E0, 16 bytes long.
 Data: < &#234; &#139;&#246;           > 80 EA 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001E14622D7F0, 16 bytes long.
 Data: <@&#233; &#139;&#246;           > 40 E9 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E14622DED0, 16 bytes long.
 Data: <&#248;W &#139;&#246;           > F8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E14622D750, 16 bytes long.
 Data: <&#216;W &#139;&#246;           > D8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E14622D2F0, 16 bytes long.
 Data: <P  &#139;&#246;           > 50 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E14622D0C0, 16 bytes long.
 Data: <0  &#139;&#246;           > 30 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E14622DE80, 16 bytes long.
 Data: <&#224;  &#139;&#246;           > E0 02 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E14622D200, 16 bytes long.
 Data: <   &#139;&#246;           > 10 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E14622DB10, 16 bytes long.
 Data: <p  &#139;&#246;           > 70 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E14622DA70, 16 bytes long.
 Data: < &#192; &#139;&#246;           > 18 C0 16 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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