Task 38675245

Name test_657-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0005_0
Workunit 31617227
Created 26 Oct 2026, 7:42:58 UTC
Sent 26 Oct 2026, 7:43:02 UTC
Report deadline 31 Oct 2026, 7:43:02 UTC
Received 26 Oct 2026, 10:42:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 44 min 43 sec
CPU time 41 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.33 MB
Peak swap size 12.91 GB
Peak disk usage 3.52 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:59:06 (64248): wrapper (7.9.26016): starting
10:59:06 (64248): 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
10:59:08 (64248): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:59:08 (64248): 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\5\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\5\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
11:41:30 (64248): C:/Windows/system32/cmd.exe exited; CPU time 2510.203125
11:41:30 (64248): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 65790773 bytes.
Dumping objects ->
{3835258} normal block at 0x00000231DECC0A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000231DECC0A00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000231DECC13A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x00000231DECC0D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000231DECC0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000231DED6B0A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000231DEE53F30, 141 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) : {3835169} normal block at 0x00000231DD0D5620, 8 bytes long.
 Data: <   &#221;1   > 00 00 03 DD 31 02 00 00 
{3834553} normal block at 0x00000231DEE534A0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000231DD0D60C0, 8 bytes long.
 Data: <`&#198; &#221;1   > 60 C6 12 DD 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000231DD0E0BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000231DD0CB5C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000231DD0E26F0, 16 bytes long.
 Data: <&#232;. &#221;1           > E8 2E 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000231DD0E26A0, 16 bytes long.
 Data: <&#192;. &#221;1           > C0 2E 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000231DD0DC4A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000231DD0E23D0, 16 bytes long.
 Data: < . &#221;1           > 98 2E 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000231DD0E2380, 16 bytes long.
 Data: <p. &#221;1           > 70 2E 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000231DD0E1ED0, 16 bytes long.
 Data: <H. &#221;1           > 48 2E 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000231DD0E1F70, 16 bytes long.
 Data: < . &#221;1           > 20 2E 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000231DD0DA520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000231DD0E2060, 16 bytes long.
 Data: <&#184;&#178; &#221;1           > B8 B2 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000231DD0DC440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000231DD0E2240, 16 bytes long.
 Data: < &#178; &#221;1           > 90 B2 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000231DD0E1D90, 16 bytes long.
 Data: <h&#178; &#221;1           > 68 B2 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000231DD0E2330, 16 bytes long.
 Data: <@&#178; &#221;1           > 40 B2 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000231DD0E1DE0, 16 bytes long.
 Data: < &#178; &#221;1           > 18 B2 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000231DD0E25B0, 16 bytes long.
 Data: <&#240;&#177; &#221;1           > F0 B1 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000231DD0E2650, 16 bytes long.
 Data: <&#200;&#177; &#221;1           > C8 B1 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000231DD0DB840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000231DD0E21F0, 16 bytes long.
 Data: <&#160;&#177; &#221;1           > A0 B1 0C DD 31 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000231DD0CB1A0, 320 bytes long.
 Data: <&#240;! &#221;1   @&#184; &#221;1   > F0 21 0E DD 31 02 00 00 40 B8 0D DD 31 02 00 00 
{269} normal block at 0x00000231DD0E1E80, 16 bytes long.
 Data: < . &#221;1           > 00 2E 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000231DD0E2560, 16 bytes long.
 Data: <&#216;- &#221;1           > D8 2D 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000231DD0DC2C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000231DD0E2420, 16 bytes long.
 Data: <&#176;- &#221;1           > B0 2D 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000231DD0DC0E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000231DD0E22E0, 16 bytes long.
 Data: <&#248;, &#221;1           > F8 2C 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000231DD0E21A0, 16 bytes long.
 Data: <&#208;, &#221;1           > D0 2C 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000231DD0E2B00, 16 bytes long.
 Data: <&#168;, &#221;1           > A8 2C 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000231DD0E2970, 16 bytes long.
 Data: < , &#221;1           > 80 2C 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000231DD0E2510, 16 bytes long.
 Data: <X, &#221;1           > 58 2C 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000231DD0E2470, 16 bytes long.
 Data: <0, &#221;1           > 30 2C 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000231DD0E28D0, 16 bytes long.
 Data: < &#165; &#221;1           > 90 A5 0D DD 31 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000231DD0DA590, 40 bytes long.
 Data: <&#208;( &#221;1   &#160;&#176;&#214;&#222;1   > D0 28 0E DD 31 02 00 00 A0 B0 D6 DE 31 02 00 00 
{255} normal block at 0x00000231DD0E2600, 16 bytes long.
 Data: < , &#221;1           > 10 2C 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000231DD0E2290, 16 bytes long.
 Data: <&#232;+ &#221;1           > E8 2B 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000231DD0DBD20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000231DD0E24C0, 16 bytes long.
 Data: <&#192;+ &#221;1           > C0 2B 0E DD 31 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000231DD0E2BC0, 992 bytes long.
 Data: <&#192;$ &#221;1    &#189; &#221;1   > C0 24 0E DD 31 02 00 00 20 BD 0D DD 31 02 00 00 
{87} normal block at 0x00000231DD0DC1A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000231DD0D5E90, 16 bytes long.
 Data: <@&#164; &#221;1           > 40 A4 0D DD 31 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000231DD0DA440, 40 bytes long.
 Data: < ^ &#221;1   &#160;&#193; &#221;1   > 90 5E 0D DD 31 02 00 00 A0 C1 0D DD 31 02 00 00 
{64} normal block at 0x00000231DD0D5CB0, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000231DD0D5C60, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000231DD0D5A30, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000231DD0D5D00, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000231DD0D5C10, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000231DD0D5E40, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000231DD0D5A80, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000231DD0D5F30, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000231DD0D5B20, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000231DD0D5990, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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