Task 38675674

Name test_177-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND7570_0
Workunit 31617636
Created 26 Oct 2026, 8:57:19 UTC
Sent 26 Oct 2026, 8:57:27 UTC
Report deadline 31 Oct 2026, 8:57:27 UTC
Received 26 Oct 2026, 11:09:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654843
Run time 49 min 4 sec
CPU time 40 min 48 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 657.69 MB
Peak swap size 1.56 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:21:15 (7584): wrapper (7.9.26016): starting
12:21:15 (7584): 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
12:21:18 (7584): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:21:18 (7584): 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
13:07:45 (7584): C:/Windows/system32/cmd.exe exited; CPU time 2448.390625
13:07:45 (7584): 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: 29920033 bytes.
Dumping objects ->
{3835229} normal block at 0x0000023AECE71910, 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 0x0000023AECE71670, 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 0x0000023AECE724E0, 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 0x0000023AECE720F0, 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 0x0000023AECE71A60, 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 0x0000023AECDCC400, 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 0x0000023AEB2E4E80, 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 0x0000023AEB2B5C50, 8 bytes long.
 Data: <  #&#235;:   > 00 00 23 EB 3A 02 00 00 
{3834539} normal block at 0x0000023AEB2E54A0, 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 0x0000023AEB2B5610, 8 bytes long.
 Data: < &#242;+&#235;:   > 10 F2 2B EB 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000023AEB2BF710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023AEB2AA0D0, 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 0x0000023AEB2C06F0, 16 bytes long.
 Data: <&#216;$,&#235;:           > D8 24 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023AEB2C0650, 16 bytes long.
 Data: <&#176;$,&#235;:           > B0 24 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023AEB2BC1A0, 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 0x0000023AEB2C0790, 16 bytes long.
 Data: < $,&#235;:           > 88 24 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023AEB2C0470, 16 bytes long.
 Data: <`$,&#235;:           > 60 24 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023AEB2C0970, 16 bytes long.
 Data: <8$,&#235;:           > 38 24 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023AEB2C0CE0, 16 bytes long.
 Data: < $,&#235;:           > 10 24 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023AEB2BA7F0, 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 0x0000023AEB2C0560, 16 bytes long.
 Data: <8Z*&#235;:           > 38 5A 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023AEB2BC260, 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 0x0000023AEB2C0420, 16 bytes long.
 Data: < Z*&#235;:           > 10 5A 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023AEB2C03D0, 16 bytes long.
 Data: <&#232;Y*&#235;:           > E8 59 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023AEB2C0510, 16 bytes long.
 Data: <&#192;Y*&#235;:           > C0 59 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023AEB2BFDE0, 16 bytes long.
 Data: < Y*&#235;:           > 98 59 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023AEB2C0C90, 16 bytes long.
 Data: <pY*&#235;:           > 70 59 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023AEB2C0330, 16 bytes long.
 Data: <HY*&#235;:           > 48 59 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023AEB2BB4E0, 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 0x0000023AEB2C0100, 16 bytes long.
 Data: < Y*&#235;:           > 20 59 2A EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023AEB2A5920, 320 bytes long.
 Data: <  ,&#235;:   &#224;&#180;+&#235;:   > 00 01 2C EB 3A 02 00 00 E0 B4 2B EB 3A 02 00 00 
{268} normal block at 0x0000023AEB2C05B0, 16 bytes long.
 Data: <&#240;#,&#235;:           > F0 23 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023AEB2C0C40, 16 bytes long.
 Data: <&#200;#,&#235;:           > C8 23 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023AEB2BBF60, 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 0x0000023AEB2C0600, 16 bytes long.
 Data: <&#160;#,&#235;:           > A0 23 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023AEB2BB360, 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 0x0000023AEB2C0A10, 16 bytes long.
 Data: <&#232;",&#235;:           > E8 22 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023AEB2C02E0, 16 bytes long.
 Data: <&#192;",&#235;:           > C0 22 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023AEB2C0290, 16 bytes long.
 Data: < ",&#235;:           > 98 22 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023AEB2C0920, 16 bytes long.
 Data: <p",&#235;:           > 70 22 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023AEB2C0240, 16 bytes long.
 Data: <H",&#235;:           > 48 22 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023AEB2C07E0, 16 bytes long.
 Data: < ",&#235;:           > 20 22 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023AEB2C00B0, 16 bytes long.
 Data: < &#164;+&#235;:           > 00 A4 2B EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023AEB2BA400, 40 bytes long.
 Data: <&#176; ,&#235;:    &#196;&#220;&#236;:   > B0 00 2C EB 3A 02 00 00 00 C4 DC EC 3A 02 00 00 
{254} normal block at 0x0000023AEB2C06A0, 16 bytes long.
 Data: < ",&#235;:           > 00 22 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023AEB2BFFC0, 16 bytes long.
 Data: <&#216;!,&#235;:           > D8 21 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023AEB2BBF00, 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 0x0000023AEB2BFED0, 16 bytes long.
 Data: <&#176;!,&#235;:           > B0 21 2C EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000023AEB2C21B0, 992 bytes long.
 Data: <&#208;&#254;+&#235;:    &#191;+&#235;:   > D0 FE 2B EB 3A 02 00 00 00 BF 2B EB 3A 02 00 00 
{86} normal block at 0x0000023AEB2BC0E0, 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 0x0000023AEB2B5BB0, 16 bytes long.
 Data: <&#224;&#164;+&#235;:           > E0 A4 2B EB 3A 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000023AEB2BA4E0, 40 bytes long.
 Data: <&#176;[+&#235;:   &#224;&#192;+&#235;:   > B0 5B 2B EB 3A 02 00 00 E0 C0 2B EB 3A 02 00 00 
{63} normal block at 0x0000023AEB2B54D0, 16 bytes long.
 Data: < &#234;&#137;&#239;&#247;           > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023AEB2B6100, 16 bytes long.
 Data: <@&#233;&#137;&#239;&#247;           > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023AEB2B5750, 16 bytes long.
 Data: <&#248;W&#134;&#239;&#247;           > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023AEB2B5890, 16 bytes long.
 Data: <&#216;W&#134;&#239;&#247;           > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023AEB2B5A70, 16 bytes long.
 Data: <P &#134;&#239;&#247;           > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023AEB2B5700, 16 bytes long.
 Data: <0 &#134;&#239;&#247;           > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023AEB2B5B60, 16 bytes long.
 Data: <&#224; &#134;&#239;&#247;           > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023AEB2B5E30, 16 bytes long.
 Data: <  &#134;&#239;&#247;           > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023AEB2B57F0, 16 bytes long.
 Data: <p &#134;&#239;&#247;           > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000023AEB2B5B10, 16 bytes long.
 Data: < &#192;&#132;&#239;&#247;           > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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