Task 38674434

Name test_986-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0939_0
Workunit 31616469
Created 26 Oct 2026, 5:16:05 UTC
Sent 26 Oct 2026, 5:16:11 UTC
Report deadline 31 Oct 2026, 5:16:11 UTC
Received 26 Oct 2026, 7:12:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654842
Run time 40 min 52 sec
CPU time 39 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.78 MB
Peak swap size 11.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:30:04 (20420): wrapper (7.9.26016): starting
08:30:04 (20420): 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
08:30:07 (20420): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:30:07 (20420): 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 'E:\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 'E:\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: Exiting with failure status due to previous errors
09:10:16 (20420): C:/Windows/system32/cmd.exe exited; CPU time 2369.625000
09:10:16 (20420): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 35884769 bytes.
Dumping objects ->
{3835234} normal block at 0x000001AE43F00AA0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001AE43F00560, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001AE43F00C60, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001AE43F00CD0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001AE43F00BF0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001AE43F9D1D0, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001AE43F02730, 160 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) : {3835145} normal block at 0x000001AE42269980, 8 bytes long.
 Data: <  "B&#174;   > 00 00 22 42 AE 01 00 00 
{3834544} normal block at 0x000001AE43F022D0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001AE422697A0, 8 bytes long.
 Data: <`I D&#174;   > 60 49 07 44 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001AE42272920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AE4225D020, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001AE42274720, 16 bytes long.
 Data: <X\'B&#174;           > 58 5C 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AE42274180, 16 bytes long.
 Data: <0\'B&#174;           > 30 5C 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AE4226F230, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001AE42273AF0, 16 bytes long.
 Data: < \'B&#174;           > 08 5C 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AE42273FF0, 16 bytes long.
 Data: <&#224;['B&#174;           > E0 5B 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AE42273FA0, 16 bytes long.
 Data: <&#184;['B&#174;           > B8 5B 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AE42273F50, 16 bytes long.
 Data: < ['B&#174;           > 90 5B 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AE4226DFB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001AE42273AA0, 16 bytes long.
 Data: <&#248;7'B&#174;           > F8 37 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AE4226F1D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001AE42273B40, 16 bytes long.
 Data: <&#208;7'B&#174;           > D0 37 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AE42274450, 16 bytes long.
 Data: <&#168;7'B&#174;           > A8 37 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AE42274130, 16 bytes long.
 Data: < 7'B&#174;           > 80 37 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AE42274400, 16 bytes long.
 Data: <X7'B&#174;           > 58 37 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AE42273A50, 16 bytes long.
 Data: <07'B&#174;           > 30 37 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AE42274310, 16 bytes long.
 Data: < 7'B&#174;           > 08 37 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AE4226FAD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001AE42273EB0, 16 bytes long.
 Data: <&#224;6'B&#174;           > E0 36 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AE422736E0, 320 bytes long.
 Data: <&#176;>'B&#174;   &#208;&#250;&B&#174;   > B0 3E 27 42 AE 01 00 00 D0 FA 26 42 AE 01 00 00 
{269} normal block at 0x000001AE422741D0, 16 bytes long.
 Data: <p['B&#174;           > 70 5B 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AE42273E60, 16 bytes long.
 Data: <H['B&#174;           > 48 5B 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AE4226F830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001AE42273A00, 16 bytes long.
 Data: < ['B&#174;           > 20 5B 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AE4226FE90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001AE422745E0, 16 bytes long.
 Data: <hZ'B&#174;           > 68 5A 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AE42273DC0, 16 bytes long.
 Data: <@Z'B&#174;           > 40 5A 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AE422742C0, 16 bytes long.
 Data: < Z'B&#174;           > 18 5A 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AE42273D70, 16 bytes long.
 Data: <&#240;Y'B&#174;           > F0 59 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AE422740E0, 16 bytes long.
 Data: <&#200;Y'B&#174;           > C8 59 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AE42273E10, 16 bytes long.
 Data: <&#160;Y'B&#174;           > A0 59 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AE42273B90, 16 bytes long.
 Data: <`&#222;&B&#174;           > 60 DE 26 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AE4226DE60, 40 bytes long.
 Data: < ;'B&#174;   &#208;&#209;&#249;C&#174;   > 90 3B 27 42 AE 01 00 00 D0 D1 F9 43 AE 01 00 00 
{255} normal block at 0x000001AE42273960, 16 bytes long.
 Data: < Y'B&#174;           > 80 59 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AE42273D20, 16 bytes long.
 Data: <XY'B&#174;           > 58 59 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001AE4226FA70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001AE42274810, 16 bytes long.
 Data: <0Y'B&#174;           > 30 59 27 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001AE42275930, 992 bytes long.
 Data: < H'B&#174;   p&#250;&B&#174;   > 10 48 27 42 AE 01 00 00 70 FA 26 42 AE 01 00 00 
{87} normal block at 0x000001AE4226F3B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001AE42269390, 16 bytes long.
 Data: < &#221;&B&#174;           > 80 DD 26 42 AE 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001AE4226DD80, 40 bytes long.
 Data: < &#147;&B&#174;   &#176;&#243;&B&#174;   > 90 93 26 42 AE 01 00 00 B0 F3 26 42 AE 01 00 00 
{64} normal block at 0x000001AE422690C0, 16 bytes long.
 Data: < &#234;&#207;&#208;&#247;           > 80 EA CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AE42269750, 16 bytes long.
 Data: <@&#233;&#207;&#208;&#247;           > 40 E9 CF D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AE422699D0, 16 bytes long.
 Data: <&#248;W&#204;&#208;&#247;           > F8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AE42269250, 16 bytes long.
 Data: <&#216;W&#204;&#208;&#247;           > D8 57 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AE422694D0, 16 bytes long.
 Data: <P &#204;&#208;&#247;           > 50 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AE42268EE0, 16 bytes long.
 Data: <0 &#204;&#208;&#247;           > 30 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AE42268D00, 16 bytes long.
 Data: <&#224; &#204;&#208;&#247;           > E0 02 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AE422691B0, 16 bytes long.
 Data: <  &#204;&#208;&#247;           > 10 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001AE42269160, 16 bytes long.
 Data: <p &#204;&#208;&#247;           > 70 04 CC D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001AE42269700, 16 bytes long.
 Data: < &#192;&#202;&#208;&#247;           > 18 C0 CA D0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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