Task 38688584

Name test_211-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND9738_0
Workunit 31629922
Created 28 Oct 2026, 14:55:29 UTC
Sent 28 Oct 2026, 14:55:45 UTC
Report deadline 2 Nov 2026, 14:55:45 UTC
Received 28 Oct 2026, 15:50:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647500
Run time 25 min 6 sec
CPU time 16 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.80 MB
Peak swap size 11.52 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:28:31 (6168): wrapper (7.9.26016): starting
11:28:31 (6168): 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
11:28:32 (6168): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:28:32 (6168): 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\13\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\13\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
11:47:39 (6168): C:/Windows/system32/cmd.exe exited; CPU time 1003.031250
11:47:39 (6168): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22610459 bytes.
Dumping objects ->
{3835525} normal block at 0x000001A9BAD05340, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001A9BAD051F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835503} normal block at 0x000001A9BAD05730, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835492} normal block at 0x000001A9BAD057A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x000001A9BAD052D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835450} normal block at 0x000001A9BCB30790, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835439} normal block at 0x000001A9BAD5D890, 140 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) : {3835436} normal block at 0x000001A9BAD005A0, 8 bytes long.
 Data: <   &#187;&#169;   > 00 00 19 BB A9 01 00 00 
{3834686} normal block at 0x000001A9BAD5DBD0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001A9BAD00E60, 8 bytes long.
 Data: <&#208;D&#183;&#188;&#169;   > D0 44 B7 BC A9 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001A9BACF8BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A9BACF8FD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001A9BAD064A0, 16 bytes long.
 Data: <&#232;l&#208;&#186;&#169;           > E8 6C D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A9BAD05FA0, 16 bytes long.
 Data: <&#192;l&#208;&#186;&#169;           > C0 6C D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A9BAD01430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001A9BAD06900, 16 bytes long.
 Data: < l&#208;&#186;&#169;           > 98 6C D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A9BAD05F50, 16 bytes long.
 Data: <pl&#208;&#186;&#169;           > 70 6C D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A9BAD06310, 16 bytes long.
 Data: <Hl&#208;&#186;&#169;           > 48 6C D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A9BAD062C0, 16 bytes long.
 Data: < l&#208;&#186;&#169;           > 20 6C D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A9BAD05650, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001A9BAD06270, 16 bytes long.
 Data: <&#248;&#255;&#207;&#186;&#169;           > F8 FF CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A9BAD019D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001A9BAD05A00, 16 bytes long.
 Data: <&#208;&#255;&#207;&#186;&#169;           > D0 FF CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A9BAD05EB0, 16 bytes long.
 Data: <&#168;&#255;&#207;&#186;&#169;           > A8 FF CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A9BAD068B0, 16 bytes long.
 Data: < &#255;&#207;&#186;&#169;           > 80 FF CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A9BAD06090, 16 bytes long.
 Data: <X&#255;&#207;&#186;&#169;           > 58 FF CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A9BAD06860, 16 bytes long.
 Data: <0&#255;&#207;&#186;&#169;           > 30 FF CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A9BAD06630, 16 bytes long.
 Data: < &#255;&#207;&#186;&#169;           > 08 FF CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A9BAD018B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001A9BAD05E10, 16 bytes long.
 Data: <&#224;&#254;&#207;&#186;&#169;           > E0 FE CF BA A9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A9BACFFEE0, 320 bytes long.
 Data: < ^&#208;&#186;&#169;   &#176; &#208;&#186;&#169;   > 10 5E D0 BA A9 01 00 00 B0 18 D0 BA A9 01 00 00 
{274} normal block at 0x000001A9BAD061D0, 16 bytes long.
 Data: < l&#208;&#186;&#169;           > 00 6C D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A9BAD05DC0, 16 bytes long.
 Data: <&#216;k&#208;&#186;&#169;           > D8 6B D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A9BAD01D90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001A9BAD06130, 16 bytes long.
 Data: <&#176;k&#208;&#186;&#169;           > B0 6B D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A9BAD01790, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001A9BAD063B0, 16 bytes long.
 Data: <&#248;j&#208;&#186;&#169;           > F8 6A D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A9BAD06590, 16 bytes long.
 Data: <&#208;j&#208;&#186;&#169;           > D0 6A D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A9BAD05BE0, 16 bytes long.
 Data: <&#168;j&#208;&#186;&#169;           > A8 6A D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A9BAD05B90, 16 bytes long.
 Data: < j&#208;&#186;&#169;           > 80 6A D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A9BAD05F00, 16 bytes long.
 Data: <Xj&#208;&#186;&#169;           > 58 6A D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A9BAD05B40, 16 bytes long.
 Data: <0j&#208;&#186;&#169;           > 30 6A D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A9BAD06220, 16 bytes long.
 Data: < X&#208;&#186;&#169;           > 80 58 D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A9BAD05880, 40 bytes long.
 Data: < b&#208;&#186;&#169;     &#179;&#188;&#169;   > 20 62 D0 BA A9 01 00 00 90 07 B3 BC A9 01 00 00 
{260} normal block at 0x000001A9BAD05AF0, 16 bytes long.
 Data: < j&#208;&#186;&#169;           > 10 6A D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A9BAD06720, 16 bytes long.
 Data: <&#232;i&#208;&#186;&#169;           > E8 69 D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A9BAD01670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001A9BAD06180, 16 bytes long.
 Data: <&#192;i&#208;&#186;&#169;           > C0 69 D0 BA A9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A9BAD069C0, 992 bytes long.
 Data: < a&#208;&#186;&#169;   p &#208;&#186;&#169;   > 80 61 D0 BA A9 01 00 00 70 16 D0 BA A9 01 00 00 
{92} normal block at 0x000001A9BAD01D30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001A9BAD00FA0, 16 bytes long.
 Data: < &#203;&#206;&#186;&#169;           > 90 CB CE BA A9 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001A9BACECB90, 40 bytes long.
 Data: <&#160; &#208;&#186;&#169;   0 &#208;&#186;&#169;   > A0 0F D0 BA A9 01 00 00 30 1D D0 BA A9 01 00 00 
{69} normal block at 0x000001A9BAD00AF0, 16 bytes long.
 Data: < &#234;&#195;&#150;&#246;           > 80 EA C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A9BAD006E0, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#246;           > 40 E9 C3 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A9BAD00320, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#246;           > F8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A9BAD00690, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#246;           > D8 57 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A9BAD01130, 16 bytes long.
 Data: <P &#192;&#150;&#246;           > 50 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A9BAD00C80, 16 bytes long.
 Data: <0 &#192;&#150;&#246;           > 30 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A9BAD004B0, 16 bytes long.
 Data: <&#224; &#192;&#150;&#246;           > E0 02 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A9BAD009B0, 16 bytes long.
 Data: <  &#192;&#150;&#246;           > 10 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A9BAD005F0, 16 bytes long.
 Data: <p &#192;&#150;&#246;           > 70 04 C0 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A9BAD01040, 16 bytes long.
 Data: < &#192;&#190;&#150;&#246;           > 18 C0 BE 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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