Task 38653787

Name test_777-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND6019_2
Workunit 31596885
Created 24 Oct 2026, 6:10:56 UTC
Sent 24 Oct 2026, 6:15:24 UTC
Report deadline 29 Oct 2026, 6:15:24 UTC
Received 24 Oct 2026, 8:15:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654843
Run time 34 min 51 sec
CPU time 25 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.94 MB
Peak swap size 1.62 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:41:14 (4728): wrapper (7.9.26016): starting
10:41:14 (4728): 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
10:41:16 (4728): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:41:16 (4728): 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\1\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\1\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
11:13:32 (4728): C:/Windows/system32/cmd.exe exited; CPU time 1510.343750
11:13:32 (4728): 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: 22201495 bytes.
Dumping objects ->
{3835229} normal block at 0x000001859A241F00, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001859A2429F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001859A2428A0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000001859A2420C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001859A242130, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000001859A32B640, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x00000185989AD550, 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) : {3835140} normal block at 0x00000185988C6770, 8 bytes long.
 Data: <  &#133; &#133;   > 00 00 85 98 85 01 00 00 
{3834539} normal block at 0x00000185989AD470, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000185988C5EB0, 8 bytes long.
 Data: < 5$&#154;&#133;   > 80 35 24 9A 85 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000185988CF810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000185988BA500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000185988D0B70, 16 bytes long.
 Data: < -  &#133;           > 18 2D 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000185988D08A0, 16 bytes long.
 Data: <&#240;,  &#133;           > F0 2C 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000185988CC080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000185988D0C10, 16 bytes long.
 Data: <&#200;,  &#133;           > C8 2C 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000185988D0B20, 16 bytes long.
 Data: <&#160;,  &#133;           > A0 2C 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000185988D0E40, 16 bytes long.
 Data: <x,  &#133;           > 78 2C 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000185988D0990, 16 bytes long.
 Data: <P,  &#133;           > 50 2C 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000185988CAF50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000185988D0BC0, 16 bytes long.
 Data: <8Z&#139; &#133;           > 38 5A 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000185988CC620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000185988D14D0, 16 bytes long.
 Data: < Z&#139; &#133;           > 10 5A 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000185988D0850, 16 bytes long.
 Data: <&#232;Y&#139; &#133;           > E8 59 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000185988D1570, 16 bytes long.
 Data: <&#192;Y&#139; &#133;           > C0 59 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000185988D0800, 16 bytes long.
 Data: < Y&#139; &#133;           > 98 59 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000185988D06C0, 16 bytes long.
 Data: <pY&#139; &#133;           > 70 59 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000185988D1390, 16 bytes long.
 Data: <HY&#139; &#133;           > 48 59 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000185988CBEA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000185988D1110, 16 bytes long.
 Data: < Y&#139; &#133;           > 20 59 8B 98 85 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000185988B5920, 320 bytes long.
 Data: <    &#133;   &#160;&#190;&#140; &#133;   > 10 11 8D 98 85 01 00 00 A0 BE 8C 98 85 01 00 00 
{268} normal block at 0x00000185988D1340, 16 bytes long.
 Data: <0,  &#133;           > 30 2C 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000185988D07B0, 16 bytes long.
 Data: < ,  &#133;           > 08 2C 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000185988CC3E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000185988D0DA0, 16 bytes long.
 Data: <&#224;+  &#133;           > E0 2B 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000185988CCAA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000185988D0710, 16 bytes long.
 Data: <(+  &#133;           > 28 2B 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000185988D0AD0, 16 bytes long.
 Data: < +  &#133;           > 00 2B 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000185988D10C0, 16 bytes long.
 Data: <&#216;*  &#133;           > D8 2A 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000185988D0EE0, 16 bytes long.
 Data: <&#176;*  &#133;           > B0 2A 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000185988D12A0, 16 bytes long.
 Data: < *  &#133;           > 88 2A 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000185988D0CB0, 16 bytes long.
 Data: <`*  &#133;           > 60 2A 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000185988D0670, 16 bytes long.
 Data: <&#224;&#174;&#140; &#133;           > E0 AE 8C 98 85 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000185988CAEE0, 40 bytes long.
 Data: <p   &#133;   @&#182;2&#154;&#133;   > 70 06 8D 98 85 01 00 00 40 B6 32 9A 85 01 00 00 
{254} normal block at 0x00000185988D1160, 16 bytes long.
 Data: <@*  &#133;           > 40 2A 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000185988D1200, 16 bytes long.
 Data: < *  &#133;           > 18 2A 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000185988CBC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000185988D0A80, 16 bytes long.
 Data: <&#240;)  &#133;           > F0 29 8D 98 85 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000185988D29F0, 992 bytes long.
 Data: <    &#133;   `&#188;&#140; &#133;   > 80 0A 8D 98 85 01 00 00 60 BC 8C 98 85 01 00 00 
{86} normal block at 0x00000185988CBFC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000185988C64F0, 16 bytes long.
 Data: <`&#171;&#140; &#133;           > 60 AB 8C 98 85 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000185988CAB60, 40 bytes long.
 Data: <&#240;d&#140; &#133;   &#192;&#191;&#140; &#133;   > F0 64 8C 98 85 01 00 00 C0 BF 8C 98 85 01 00 00 
{63} normal block at 0x00000185988C62C0, 16 bytes long.
 Data: < &#234;&#224;&#223;&#247;           > 80 EA E0 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000185988C68B0, 16 bytes long.
 Data: <@&#233;&#224;&#223;&#247;           > 40 E9 E0 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000185988C5FA0, 16 bytes long.
 Data: <&#248;W&#221;&#223;&#247;           > F8 57 DD DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000185988C6A40, 16 bytes long.
 Data: <&#216;W&#221;&#223;&#247;           > D8 57 DD DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000185988C64A0, 16 bytes long.
 Data: <P &#221;&#223;&#247;           > 50 04 DD DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000185988C6860, 16 bytes long.
 Data: <0 &#221;&#223;&#247;           > 30 04 DD DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000185988C6B30, 16 bytes long.
 Data: <&#224; &#221;&#223;&#247;           > E0 02 DD DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000185988C6450, 16 bytes long.
 Data: <  &#221;&#223;&#247;           > 10 04 DD DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000185988C6220, 16 bytes long.
 Data: <p &#221;&#223;&#247;           > 70 04 DD DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000185988C61D0, 16 bytes long.
 Data: < &#192;&#219;&#223;&#247;           > 18 C0 DB DF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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