Task 38698537

Name test_186-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6840_1
Workunit 31630256
Created 2 Nov 2026, 17:17:19 UTC
Sent 2 Nov 2026, 17:17:23 UTC
Report deadline 7 Nov 2026, 17:17:23 UTC
Received 2 Nov 2026, 17:40:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 19 min 27 sec
CPU time 19 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.14 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:18:17 (13040): wrapper (7.9.26016): starting
11:18:17 (13040): 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
11:18:18 (13040): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:18:18 (13040): 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\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 'C:\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
11:37:12 (13040): C:/Windows/system32/cmd.exe exited; CPU time 1149.359375
11:37:12 (13040): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14758807 bytes.
Dumping objects ->
{3835569} normal block at 0x000001F5E7DD40D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001F5E7DD3F10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001F5E7DD4060, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001F5E7DD3FF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001F5E7DD3F80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001F5E9BFAC30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001F5E7DBD8C0, 235 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) : {3835480} normal block at 0x000001F5E7DCECB0, 8 bytes long.
 Data: <  )&#232;&#245;   > 00 00 29 E8 F5 01 00 00 
{3834703} normal block at 0x000001F5E7DBD790, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001F5E7DCEEE0, 8 bytes long.
 Data: < E&#197;&#233;&#245;   > 10 45 C5 E9 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F5E7DD07D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F5E7DC6810, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001F5E7DD4B70, 16 bytes long.
 Data: <X]&#221;&#231;&#245;           > 58 5D DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F5E7DD4990, 16 bytes long.
 Data: <0]&#221;&#231;&#245;           > 30 5D DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F5E7DD0040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001F5E7DD4CB0, 16 bytes long.
 Data: < ]&#221;&#231;&#245;           > 08 5D DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F5E7DD52F0, 16 bytes long.
 Data: <&#224;\&#221;&#231;&#245;           > E0 5C DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F5E7DD4BC0, 16 bytes long.
 Data: <&#184;\&#221;&#231;&#245;           > B8 5C DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F5E7DD4670, 16 bytes long.
 Data: < \&#221;&#231;&#245;           > 90 5C DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F5E7DC8E90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001F5E7DD52A0, 16 bytes long.
 Data: <(&#142;&#220;&#231;&#245;           > 28 8E DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F5E7DCFBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001F5E7DD5200, 16 bytes long.
 Data: < &#142;&#220;&#231;&#245;           > 00 8E DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F5E7DD5390, 16 bytes long.
 Data: <&#216; &#220;&#231;&#245;           > D8 8D DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F5E7DD5160, 16 bytes long.
 Data: <&#176; &#220;&#231;&#245;           > B0 8D DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F5E7DD4F30, 16 bytes long.
 Data: <  &#220;&#231;&#245;           > 88 8D DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F5E7DD46C0, 16 bytes long.
 Data: <` &#220;&#231;&#245;           > 60 8D DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F5E7DD5110, 16 bytes long.
 Data: <8 &#220;&#231;&#245;           > 38 8D DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F5E7DCFD40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001F5E7DD4C60, 16 bytes long.
 Data: <  &#220;&#231;&#245;           > 10 8D DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F5E7DC8D10, 320 bytes long.
 Data: <`L&#221;&#231;&#245;   @&#253;&#220;&#231;&#245;   > 60 4C DD E7 F5 01 00 00 40 FD DC E7 F5 01 00 00 
{273} normal block at 0x000001F5E7DD50C0, 16 bytes long.
 Data: <p\&#221;&#231;&#245;           > 70 5C DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F5E7DD4C10, 16 bytes long.
 Data: <H\&#221;&#231;&#245;           > 48 5C DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F5E7DCF500, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001F5E7DD5480, 16 bytes long.
 Data: < \&#221;&#231;&#245;           > 20 5C DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F5E7DCF680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001F5E7DD4800, 16 bytes long.
 Data: <h[&#221;&#231;&#245;           > 68 5B DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F5E7DD5070, 16 bytes long.
 Data: <@[&#221;&#231;&#245;           > 40 5B DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F5E7DD5020, 16 bytes long.
 Data: < [&#221;&#231;&#245;           > 18 5B DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F5E7DD51B0, 16 bytes long.
 Data: <&#240;Z&#221;&#231;&#245;           > F0 5A DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F5E7DD4E40, 16 bytes long.
 Data: <&#200;Z&#221;&#231;&#245;           > C8 5A DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F5E7DD4D00, 16 bytes long.
 Data: <&#160;Z&#221;&#231;&#245;           > A0 5A DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F5E7DD4FD0, 16 bytes long.
 Data: <&#192;4&#220;&#231;&#245;           > C0 34 DC E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F5E7DC34C0, 40 bytes long.
 Data: <&#208;O&#221;&#231;&#245;   0&#172;&#191;&#233;&#245;   > D0 4F DD E7 F5 01 00 00 30 AC BF E9 F5 01 00 00 
{259} normal block at 0x000001F5E7DD4F80, 16 bytes long.
 Data: < Z&#221;&#231;&#245;           > 80 5A DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F5E7DD4B20, 16 bytes long.
 Data: <XZ&#221;&#231;&#245;           > 58 5A DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F5E7DCFA40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001F5E7DD4DF0, 16 bytes long.
 Data: <0Z&#221;&#231;&#245;           > 30 5A DD E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F5E7DD5A30, 992 bytes long.
 Data: <&#240;M&#221;&#231;&#245;   @&#250;&#220;&#231;&#245;   > F0 4D DD E7 F5 01 00 00 40 FA DC E7 F5 01 00 00 
{91} normal block at 0x000001F5E7DCF2C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001F5E7DCE620, 16 bytes long.
 Data: <&#160;&#219;&#219;&#231;&#245;           > A0 DB DB E7 F5 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001F5E7DBDBA0, 40 bytes long.
 Data: < &#230;&#220;&#231;&#245;   &#192;&#242;&#220;&#231;&#245;   > 20 E6 DC E7 F5 01 00 00 C0 F2 DC E7 F5 01 00 00 
{68} normal block at 0x000001F5E7DCEE40, 16 bytes long.
 Data: < &#234;&#133;&#161;&#246;           > 80 EA 85 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F5E7DCEAD0, 16 bytes long.
 Data: <@&#233;&#133;&#161;&#246;           > 40 E9 85 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F5E7DCEF80, 16 bytes long.
 Data: <&#248;W&#130;&#161;&#246;           > F8 57 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F5E7DCF070, 16 bytes long.
 Data: <&#216;W&#130;&#161;&#246;           > D8 57 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F5E7DCF160, 16 bytes long.
 Data: <P &#130;&#161;&#246;           > 50 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F5E7DCE7B0, 16 bytes long.
 Data: <0 &#130;&#161;&#246;           > 30 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F5E7DCED50, 16 bytes long.
 Data: <&#224; &#130;&#161;&#246;           > E0 02 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F5E7DCF1B0, 16 bytes long.
 Data: <  &#130;&#161;&#246;           > 10 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F5E7DCEC60, 16 bytes long.
 Data: <p &#130;&#161;&#246;           > 70 04 82 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F5E7DCE5D0, 16 bytes long.
 Data: < &#192; &#161;&#246;           > 18 C0 80 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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