Task 38663463

Name test_12-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND1884_0
Workunit 31606670
Created 24 Oct 2026, 22:02:08 UTC
Sent 24 Oct 2026, 22:02:13 UTC
Report deadline 29 Oct 2026, 22:02:13 UTC
Received 24 Oct 2026, 22:47:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 41 sec
CPU time 32 min 26 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 702.62 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>
06:14:34 (8760): wrapper (7.9.26016): starting
06:14:34 (8760): 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
06:14:36 (8760): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:14:36 (8760): 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
06:47:21 (8760): C:/Windows/system32/cmd.exe exited; CPU time 1946.187500
06:47:21 (8760): 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: 25517029 bytes.
Dumping objects ->
{3835056} normal block at 0x000001D540118050, 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 0x000001D540117C60, 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 0x000001D540117E20, 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 0x000001D540117D40, 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 0x000001D53E681D80, 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 0x000001D540126700, 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 0x000001D53E67CF80, 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 0x000001D53E67A000, 8 bytes long.
 Data: <  e>&#213;   > 00 00 65 3E D5 01 00 00 
{3834466} normal block at 0x000001D53E67CA30, 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 0x000001D53E67A640, 8 bytes long.
 Data: <&#192;6 @&#213;   > C0 36 1B 40 D5 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001D53E6846F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D53E669EA0, 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 0x000001D53E685870, 16 bytes long.
 Data: <8&#245;g>&#213;           > 38 F5 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D53E686540, 16 bytes long.
 Data: < &#245;g>&#213;           > 10 F5 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D53E681410, 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 0x000001D53E686450, 16 bytes long.
 Data: <&#232;&#244;g>&#213;           > E8 F4 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D53E6863B0, 16 bytes long.
 Data: <&#192;&#244;g>&#213;           > C0 F4 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D53E686270, 16 bytes long.
 Data: < &#244;g>&#213;           > 98 F4 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D53E686220, 16 bytes long.
 Data: <p&#244;g>&#213;           > 70 F4 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D53E681DF0, 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 0x000001D53E685D20, 16 bytes long.
 Data: < &#217;f>&#213;           > 88 D9 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D53E680AB0, 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 0x000001D53E685CD0, 16 bytes long.
 Data: <`&#217;f>&#213;           > 60 D9 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D53E685690, 16 bytes long.
 Data: <8&#217;f>&#213;           > 38 D9 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D53E685C30, 16 bytes long.
 Data: < &#217;f>&#213;           > 10 D9 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D53E685B40, 16 bytes long.
 Data: <&#232;&#216;f>&#213;           > E8 D8 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D53E685AF0, 16 bytes long.
 Data: <&#192;&#216;f>&#213;           > C0 D8 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D53E6864F0, 16 bytes long.
 Data: < &#216;f>&#213;           > 98 D8 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D53E6812F0, 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 0x000001D53E685FF0, 16 bytes long.
 Data: <p&#216;f>&#213;           > 70 D8 66 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D53E66D870, 320 bytes long.
 Data: <&#240;_h>&#213;   &#240; h>&#213;   > F0 5F 68 3E D5 01 00 00 F0 12 68 3E D5 01 00 00 
{267} normal block at 0x000001D53E686310, 16 bytes long.
 Data: <P&#244;g>&#213;           > 50 F4 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D53E686360, 16 bytes long.
 Data: <(&#244;g>&#213;           > 28 F4 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D53E680ED0, 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 0x000001D53E685780, 16 bytes long.
 Data: < &#244;g>&#213;           > 00 F4 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D53E680F90, 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 0x000001D53E685820, 16 bytes long.
 Data: <H&#243;g>&#213;           > 48 F3 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D53E685BE0, 16 bytes long.
 Data: < &#243;g>&#213;           > 20 F3 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D53E685640, 16 bytes long.
 Data: <&#248;&#242;g>&#213;           > F8 F2 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D53E685B90, 16 bytes long.
 Data: <&#208;&#242;g>&#213;           > D0 F2 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D53E685A50, 16 bytes long.
 Data: <&#168;&#242;g>&#213;           > A8 F2 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D53E686400, 16 bytes long.
 Data: < &#242;g>&#213;           > 80 F2 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D53E685E10, 16 bytes long.
 Data: <0 h>&#213;           > 30 1C 68 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D53E681C30, 40 bytes long.
 Data: < ^h>&#213;    g @&#213;   > 10 5E 68 3E D5 01 00 00 00 67 12 40 D5 01 00 00 
{253} normal block at 0x000001D53E6861D0, 16 bytes long.
 Data: <`&#242;g>&#213;           > 60 F2 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001D53E685C80, 16 bytes long.
 Data: <8&#242;g>&#213;           > 38 F2 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D53E6807B0, 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 0x000001D53E685730, 16 bytes long.
 Data: < &#242;g>&#213;           > 10 F2 67 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001D53E67F210, 992 bytes long.
 Data: <0Wh>&#213;   &#176; h>&#213;   > 30 57 68 3E D5 01 00 00 B0 07 68 3E D5 01 00 00 
{85} normal block at 0x000001D53E680750, 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 0x000001D53E67A5A0, 16 bytes long.
 Data: <&#176; h>&#213;           > B0 18 68 3E D5 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001D53E6818B0, 40 bytes long.
 Data: <&#160;&#165;g>&#213;   P h>&#213;   > A0 A5 67 3E D5 01 00 00 50 07 68 3E D5 01 00 00 
{62} normal block at 0x000001D53E67A550, 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 0x000001D53E67A320, 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 0x000001D53E6798D0, 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 0x000001D53E67A230, 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 0x000001D53E67A1E0, 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 0x000001D53E67A3C0, 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 0x000001D53E67A0A0, 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 0x000001D53E67A2D0, 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 0x000001D53E679E20, 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 0x000001D53E67A190, 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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