Task 38669190

Name test_398-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND0398_0
Workunit 31611571
Created 25 Oct 2026, 13:54:23 UTC
Sent 25 Oct 2026, 13:54:27 UTC
Report deadline 30 Oct 2026, 13:54:27 UTC
Received 25 Oct 2026, 14:20:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626472
Run time 20 min 2 sec
CPU time 18 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 60,322.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 768.47 MB
Peak swap size 13.07 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:00:25 (34332): wrapper (7.9.26016): starting
15:00:25 (34332): 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
15:00:26 (34332): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:00:26 (34332): 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\32\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\32\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
15:19:39 (34332): C:/Windows/system32/cmd.exe exited; CPU time 1133.500000
15:19:39 (34332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 29571931 bytes.
Dumping objects ->
{3835490} normal block at 0x0000026726C0B370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000026726C0A7A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000026726C0AD50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x0000026726C0B4C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000026724DA5210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x0000026726BF7230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835402} normal block at 0x0000026724D9DC00, 8 bytes long.
 Data: <  9%g   > 00 00 39 25 67 02 00 00 
{3833963} normal block at 0x0000026724D9E3D0, 8 bytes long.
 Data: <0&#221;&#216;$g   > 30 DD D8 24 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026724DA1910, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026724D96E80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000026724DA5DF0, 16 bytes long.
 Data: < m&#218;$g           > 18 6D DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026724DA6570, 16 bytes long.
 Data: <&#240;l&#218;$g           > F0 6C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026724D9FC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000026724DA6520, 16 bytes long.
 Data: <&#200;l&#218;$g           > C8 6C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026724DA6480, 16 bytes long.
 Data: <&#160;l&#218;$g           > A0 6C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026724DA67A0, 16 bytes long.
 Data: <xl&#218;$g           > 78 6C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026724DA5A30, 16 bytes long.
 Data: <Pl&#218;$g           > 50 6C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026724DA5050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000026724DA6890, 16 bytes long.
 Data: <&#168;&#239;&#216;$g           > A8 EF D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026724D9F6E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000026724DA6980, 16 bytes long.
 Data: < &#239;&#216;$g           > 80 EF D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026724DA5AD0, 16 bytes long.
 Data: <X&#239;&#216;$g           > 58 EF D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026724DA6430, 16 bytes long.
 Data: <0&#239;&#216;$g           > 30 EF D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026724DA6610, 16 bytes long.
 Data: < &#239;&#216;$g           > 08 EF D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026724DA6110, 16 bytes long.
 Data: <&#224;&#238;&#216;$g           > E0 EE D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026724DA6660, 16 bytes long.
 Data: <&#184;&#238;&#216;$g           > B8 EE D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026724DA01C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000026724DA5CB0, 16 bytes long.
 Data: < &#238;&#216;$g           > 90 EE D8 24 67 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026724D8EE90, 320 bytes long.
 Data: <&#176;\&#218;$g   &#192; &#218;$g   > B0 5C DA 24 67 02 00 00 C0 01 DA 24 67 02 00 00 
{277} normal block at 0x0000026724DA6340, 16 bytes long.
 Data: <0l&#218;$g           > 30 6C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026724DA63E0, 16 bytes long.
 Data: < l&#218;$g           > 08 6C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026724D9F680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000026724DA5B70, 16 bytes long.
 Data: <&#224;k&#218;$g           > E0 6B DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026724D9F560, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000026724DA6200, 16 bytes long.
 Data: <(k&#218;$g           > 28 6B DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026724DA64D0, 16 bytes long.
 Data: < k&#218;$g           > 00 6B DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026724DA60C0, 16 bytes long.
 Data: <&#216;j&#218;$g           > D8 6A DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026724DA62A0, 16 bytes long.
 Data: <&#176;j&#218;$g           > B0 6A DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026724DA6750, 16 bytes long.
 Data: < j&#218;$g           > 88 6A DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026724DA6160, 16 bytes long.
 Data: <`j&#218;$g           > 60 6A DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026724DA62F0, 16 bytes long.
 Data: <`L&#218;$g           > 60 4C DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026724DA4C60, 40 bytes long.
 Data: <&#240;b&#218;$g   0r&#191;&g   > F0 62 DA 24 67 02 00 00 30 72 BF 26 67 02 00 00 
{263} normal block at 0x0000026724DA6390, 16 bytes long.
 Data: <@j&#218;$g           > 40 6A DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026724DA6250, 16 bytes long.
 Data: < j&#218;$g           > 18 6A DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026724D9F740, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000026724DA5F30, 16 bytes long.
 Data: <&#240;i&#218;$g           > F0 69 DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026724DA69F0, 992 bytes long.
 Data: <0_&#218;$g   @&#247;&#217;$g   > 30 5F DA 24 67 02 00 00 40 F7 D9 24 67 02 00 00 
{95} normal block at 0x0000026724D9F860, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000026724D9E600, 16 bytes long.
 Data: <&#240;K&#218;$g           > F0 4B DA 24 67 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026724DA4BF0, 40 bytes long.
 Data: < &#230;&#217;$g   `&#248;&#217;$g   > 00 E6 D9 24 67 02 00 00 60 F8 D9 24 67 02 00 00 
{72} normal block at 0x0000026724D9D7A0, 16 bytes long.
 Data: < &#234; &#184;&#246;           > 80 EA 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026724D9DFC0, 16 bytes long.
 Data: <@&#233; &#184;&#246;           > 40 E9 01 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026724D9DC50, 16 bytes long.
 Data: <&#248;W&#254;&#183;&#246;           > F8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026724D9D930, 16 bytes long.
 Data: <&#216;W&#254;&#183;&#246;           > D8 57 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026724D9E1F0, 16 bytes long.
 Data: <P &#254;&#183;&#246;           > 50 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026724D9DB10, 16 bytes long.
 Data: <0 &#254;&#183;&#246;           > 30 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026724D9E0B0, 16 bytes long.
 Data: <&#224; &#254;&#183;&#246;           > E0 02 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026724D9DBB0, 16 bytes long.
 Data: <  &#254;&#183;&#246;           > 10 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026724D9E1A0, 16 bytes long.
 Data: <p &#254;&#183;&#246;           > 70 04 FE B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026724D9E060, 16 bytes long.
 Data: < &#192;&#252;&#183;&#246;           > 18 C0 FC B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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