Task 38679447

Name test_31-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6856_0
Workunit 31621221
Created 26 Oct 2026, 20:36:37 UTC
Sent 26 Oct 2026, 20:36:43 UTC
Report deadline 31 Oct 2026, 20:36:43 UTC
Received 26 Oct 2026, 21:42:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 24 min 56 sec
CPU time 23 min 11 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 778.53 MB
Peak swap size 9.98 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:17:40 (3352): wrapper (7.9.26016): starting
23:17:40 (3352): 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
23:17:41 (3352): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:17:41 (3352): 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\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 'C:\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
23:41:50 (3352): C:/Windows/system32/cmd.exe exited; CPU time 1391.234375
23:41:50 (3352): 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: 22451129 bytes.
Dumping objects ->
{3835317} normal block at 0x00000241F58F4A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x00000241F58F4780, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x00000241F58F4DA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x00000241F58F4A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x00000241F58F4E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x00000241F7518030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000241F7530ED0, 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) : {3835228} normal block at 0x00000241F58ED770, 8 bytes long.
 Data: <  &#137;&#245;A   > 00 00 89 F5 41 02 00 00 
{3834592} normal block at 0x00000241F75305E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000241F58ECD70, 8 bytes long.
 Data: <&#224;&#203;W&#247;A   > E0 CB 57 F7 41 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000241F58F0F50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000241F58E5C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000241F58F5060, 16 bytes long.
 Data: <&#232;d&#143;&#245;A           > E8 64 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000241F58F5740, 16 bytes long.
 Data: <&#192;d&#143;&#245;A           > C0 64 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000241F58EEE00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000241F58F51A0, 16 bytes long.
 Data: < d&#143;&#245;A           > 98 64 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000241F58F5E20, 16 bytes long.
 Data: <pd&#143;&#245;A           > 70 64 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000241F58F5D30, 16 bytes long.
 Data: <Hd&#143;&#245;A           > 48 64 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000241F58F5AB0, 16 bytes long.
 Data: < d&#143;&#245;A           > 20 64 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000241F58F4860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000241F58F5A60, 16 bytes long.
 Data: <8&#186;&#141;&#245;A           > 38 BA 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000241F58EEC20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000241F58F56F0, 16 bytes long.
 Data: < &#186;&#141;&#245;A           > 10 BA 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000241F58F5560, 16 bytes long.
 Data: <&#232;&#185;&#141;&#245;A           > E8 B9 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000241F58F5BF0, 16 bytes long.
 Data: <&#192;&#185;&#141;&#245;A           > C0 B9 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000241F58F5BA0, 16 bytes long.
 Data: < &#185;&#141;&#245;A           > 98 B9 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000241F58F5470, 16 bytes long.
 Data: <p&#185;&#141;&#245;A           > 70 B9 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000241F58F56A0, 16 bytes long.
 Data: <H&#185;&#141;&#245;A           > 48 B9 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000241F58EEAA0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{282} normal block at 0x00000241F58F5E70, 16 bytes long.
 Data: < &#185;&#141;&#245;A           > 20 B9 8D F5 41 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000241F58DB920, 320 bytes long.
 Data: <p^&#143;&#245;A   &#160;&#234; &#245;A   > 70 5E 8F F5 41 02 00 00 A0 EA 8E F5 41 02 00 00 
{280} normal block at 0x00000241F58F5920, 16 bytes long.
 Data: < d&#143;&#245;A           > 00 64 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000241F58F5330, 16 bytes long.
 Data: <&#216;c&#143;&#245;A           > D8 63 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000241F58EF4C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000241F58F5A10, 16 bytes long.
 Data: <&#176;c&#143;&#245;A           > B0 63 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000241F58EEDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000241F58F5C90, 16 bytes long.
 Data: <&#248;b&#143;&#245;A           > F8 62 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000241F58F5DD0, 16 bytes long.
 Data: <&#208;b&#143;&#245;A           > D0 62 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000241F58F5510, 16 bytes long.
 Data: <&#168;b&#143;&#245;A           > A8 62 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000241F58F5100, 16 bytes long.
 Data: < b&#143;&#245;A           > 80 62 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000241F58F57E0, 16 bytes long.
 Data: <Xb&#143;&#245;A           > 58 62 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000241F58F59C0, 16 bytes long.
 Data: <0b&#143;&#245;A           > 30 62 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000241F58F5C40, 16 bytes long.
 Data: <&#240;G&#143;&#245;A           > F0 47 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000241F58F47F0, 40 bytes long.
 Data: <@\&#143;&#245;A   0 Q&#247;A   > 40 5C 8F F5 41 02 00 00 30 80 51 F7 41 02 00 00 
{266} normal block at 0x00000241F58F54C0, 16 bytes long.
 Data: < b&#143;&#245;A           > 10 62 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000241F58F5CE0, 16 bytes long.
 Data: <&#232;a&#143;&#245;A           > E8 61 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000241F58EE9E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000241F58F5150, 16 bytes long.
 Data: <&#192;a&#143;&#245;A           > C0 61 8F F5 41 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000241F58F61C0, 992 bytes long.
 Data: <PQ&#143;&#245;A   &#224;&#233; &#245;A   > 50 51 8F F5 41 02 00 00 E0 E9 8E F5 41 02 00 00 
{98} normal block at 0x00000241F58EEB60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000241F58ECCD0, 16 bytes long.
 Data: <&#192;&#231; &#245;A           > C0 E7 8E F5 41 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000241F58EE7C0, 40 bytes long.
 Data: <&#208;&#204; &#245;A   `&#235; &#245;A   > D0 CC 8E F5 41 02 00 00 60 EB 8E F5 41 02 00 00 
{75} normal block at 0x00000241F58ED720, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000241F58ECB90, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000241F58ED540, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000241F58ECE10, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000241F58ED4F0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000241F58ED6D0, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000241F58ECAA0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000241F58ED810, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000241F58ED9A0, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000241F58ED8B0, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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