Task 38687248

Name test_6-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND2363_0
Workunit 31628642
Created 28 Oct 2026, 6:46:02 UTC
Sent 28 Oct 2026, 6:46:06 UTC
Report deadline 2 Nov 2026, 6:46:06 UTC
Received 28 Oct 2026, 9:32:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653191
Run time 25 min 27 sec
CPU time 23 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.07 MB
Peak swap size 6.94 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:07:19 (16752): wrapper (7.9.26016): starting
10:07:19 (16752): 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
10:07:20 (16752): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:07:20 (16752): 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\3\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\3\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
10:31:41 (16752): C:/Windows/system32/cmd.exe exited; CPU time 1392.718750
10:31:41 (16752): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22812151 bytes.
Dumping objects ->
{3835601} normal block at 0x00000215A83A0290, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x00000215A83A0220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835579} normal block at 0x00000215A839FF80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835568} normal block at 0x00000215A83A04C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835557} normal block at 0x00000215A67D4810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835526} normal block at 0x00000215A8414F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x00000215A842ED30, 102 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) : {3835512} normal block at 0x00000215A67CF430, 8 bytes long.
 Data: <  &#210;&#166;    > 00 00 D2 A6 15 02 00 00 
{3834713} normal block at 0x00000215A842EFF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000215A67CE8A0, 8 bytes long.
 Data: < YJ&#168;    > 90 59 4A A8 15 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000215A67D1040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000215A67C5E70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000215A67D5B90, 16 bytes long.
 Data: <hg}&#166;            > 68 67 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000215A67D6040, 16 bytes long.
 Data: <@g}&#166;            > 40 67 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000215A67D0490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000215A67D53C0, 16 bytes long.
 Data: < g}&#166;            > 18 67 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000215A67D5AF0, 16 bytes long.
 Data: <&#240;f}&#166;            > F0 66 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000215A67D5AA0, 16 bytes long.
 Data: <&#200;f}&#166;            > C8 66 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000215A67D5FF0, 16 bytes long.
 Data: <&#160;f}&#166;            > A0 66 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000215A67D4CE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000215A67D5F00, 16 bytes long.
 Data: < &#230;|&#166;            > 18 E6 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000215A67CF830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000215A67D6090, 16 bytes long.
 Data: <&#240;&#229;|&#166;            > F0 E5 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000215A67D5A50, 16 bytes long.
 Data: <&#200;&#229;|&#166;            > C8 E5 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000215A67D5690, 16 bytes long.
 Data: <&#160;&#229;|&#166;            > A0 E5 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000215A67D5FA0, 16 bytes long.
 Data: <x&#229;|&#166;            > 78 E5 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000215A67D61D0, 16 bytes long.
 Data: <P&#229;|&#166;            > 50 E5 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000215A67D5320, 16 bytes long.
 Data: <(&#229;|&#166;            > 28 E5 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000215A67CF7D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000215A67D5EB0, 16 bytes long.
 Data: < &#229;|&#166;            > 00 E5 7C A6 15 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000215A67CE500, 320 bytes long.
 Data: <&#176;^}&#166;    &#208;&#247;|&#166;    > B0 5E 7D A6 15 02 00 00 D0 F7 7C A6 15 02 00 00 
{276} normal block at 0x00000215A67D55F0, 16 bytes long.
 Data: < f}&#166;            > 80 66 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000215A67D5500, 16 bytes long.
 Data: <Xf}&#166;            > 58 66 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000215A67CF8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000215A67D5820, 16 bytes long.
 Data: <0f}&#166;            > 30 66 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000215A67D0670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000215A67D5410, 16 bytes long.
 Data: <xe}&#166;            > 78 65 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000215A67D5F50, 16 bytes long.
 Data: <Pe}&#166;            > 50 65 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000215A67D5B40, 16 bytes long.
 Data: <(e}&#166;            > 28 65 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000215A67D5DC0, 16 bytes long.
 Data: < e}&#166;            > 00 65 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000215A67D56E0, 16 bytes long.
 Data: <&#216;d}&#166;            > D8 64 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000215A67D5730, 16 bytes long.
 Data: <&#176;d}&#166;            > B0 64 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000215A67D5550, 16 bytes long.
 Data: < H}&#166;            > 80 48 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000215A67D4880, 40 bytes long.
 Data: <PU}&#166;     OA&#168;    > 50 55 7D A6 15 02 00 00 80 4F 41 A8 15 02 00 00 
{262} normal block at 0x00000215A67D52D0, 16 bytes long.
 Data: < d}&#166;            > 90 64 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000215A67D5E60, 16 bytes long.
 Data: <hd}&#166;            > 68 64 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000215A67D05B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000215A67D5780, 16 bytes long.
 Data: <@d}&#166;            > 40 64 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000215A67D6440, 992 bytes long.
 Data: < W}&#166;    &#176; }&#166;    > 80 57 7D A6 15 02 00 00 B0 05 7D A6 15 02 00 00 
{94} normal block at 0x00000215A67CFFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000215A67CF070, 16 bytes long.
 Data: <&#192;F}&#166;            > C0 46 7D A6 15 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000215A67D46C0, 40 bytes long.
 Data: <p&#240;|&#166;    &#176; |&#166;    > 70 F0 7C A6 15 02 00 00 B0 FF 7C A6 15 02 00 00 
{71} normal block at 0x00000215A67CF4D0, 16 bytes long.
 Data: < &#234;8 &#246;           > 80 EA 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000215A67CEC60, 16 bytes long.
 Data: <@&#233;8 &#246;           > 40 E9 38 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000215A67CEB20, 16 bytes long.
 Data: <&#248;W5 &#246;           > F8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000215A67CF3E0, 16 bytes long.
 Data: <&#216;W5 &#246;           > D8 57 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000215A67CF250, 16 bytes long.
 Data: <P 5 &#246;           > 50 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000215A67CF5C0, 16 bytes long.
 Data: <0 5 &#246;           > 30 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000215A67CEC10, 16 bytes long.
 Data: <&#224; 5 &#246;           > E0 02 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000215A67CEA80, 16 bytes long.
 Data: <  5 &#246;           > 10 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000215A67CF1B0, 16 bytes long.
 Data: <p 5 &#246;           > 70 04 35 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000215A67CF610, 16 bytes long.
 Data: < &#192;3 &#246;           > 18 C0 33 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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