Task 38688631

Name test_755-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9522_0
Workunit 31629961
Created 28 Oct 2026, 15:15:57 UTC
Sent 28 Oct 2026, 15:15:59 UTC
Report deadline 2 Nov 2026, 15:15:59 UTC
Received 28 Oct 2026, 16:24:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637325
Run time 1 hours 7 min 31 sec
CPU time 1 hours 2 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 900.86 MB
Peak swap size 2.21 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:17:52 (7164): wrapper (7.9.26016): starting
17:17:52 (7164): 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
17:17:54 (7164): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:17:54 (7164): 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\4\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\4\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
18:23:42 (7164): C:/Windows/system32/cmd.exe exited; CPU time 3740.453125
18:23:42 (7164): 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: 47189129 bytes.
Dumping objects ->
{3835194} normal block at 0x0000020C6A6B0840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000020C6A6B0BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000020C6A6B1020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x0000020C6A6B08B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000020C6A6B0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x0000020C6A77B820, 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) : {3835106} normal block at 0x0000020C68C65EE0, 8 bytes long.
 Data: <  &#194;h    > 00 00 C2 68 0C 02 00 00 
{3833949} normal block at 0x0000020C68C65D00, 8 bytes long.
 Data: <&#176;h}j    > B0 68 7D 6A 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020C68C70C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C68C55CF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020C68C72670, 16 bytes long.
 Data: <(/&#199;h            > 28 2F C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C68C72300, 16 bytes long.
 Data: < /&#199;h            > 00 2F C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C68C6C240, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000020C68C72620, 16 bytes long.
 Data: <&#216;.&#199;h            > D8 2E C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C68C720D0, 16 bytes long.
 Data: <&#176;.&#199;h            > B0 2E C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C68C71CC0, 16 bytes long.
 Data: < .&#199;h            > 88 2E C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C68C72580, 16 bytes long.
 Data: <`.&#199;h            > 60 2E C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C68C6A880, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000020C68C72530, 16 bytes long.
 Data: < \&#197;h            > 88 5C C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C68C6BA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020C68C71E50, 16 bytes long.
 Data: <`\&#197;h            > 60 5C C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C68C71FE0, 16 bytes long.
 Data: <8\&#197;h            > 38 5C C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C68C71B80, 16 bytes long.
 Data: < \&#197;h            > 10 5C C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C68C72080, 16 bytes long.
 Data: <&#232;[&#197;h            > E8 5B C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C68C72350, 16 bytes long.
 Data: <&#192;[&#197;h            > C0 5B C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C68C71DB0, 16 bytes long.
 Data: < [&#197;h            > 98 5B C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C68C6B6A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000020C68C71A90, 16 bytes long.
 Data: <p[&#197;h            > 70 5B C5 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C68C55B70, 320 bytes long.
 Data: <  &#199;h    &#160;&#182;&#198;h    > 90 1A C7 68 0C 02 00 00 A0 B6 C6 68 0C 02 00 00 
{270} normal block at 0x0000020C68C71C70, 16 bytes long.
 Data: <@.&#199;h            > 40 2E C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C68C722B0, 16 bytes long.
 Data: < .&#199;h            > 18 2E C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C68C6C3C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000020C68C729E0, 16 bytes long.
 Data: <&#240;-&#199;h            > F0 2D C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C68C6BCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020C68C723A0, 16 bytes long.
 Data: <8-&#199;h            > 38 2D C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C68C71F90, 16 bytes long.
 Data: < -&#199;h            > 10 2D C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C68C72850, 16 bytes long.
 Data: <&#232;,&#199;h            > E8 2C C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C68C71F40, 16 bytes long.
 Data: <&#192;,&#199;h            > C0 2C C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C68C71D10, 16 bytes long.
 Data: < ,&#199;h            > 98 2C C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C68C71B30, 16 bytes long.
 Data: <p,&#199;h            > 70 2C C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C68C721C0, 16 bytes long.
 Data: <0&#167;&#198;h            > 30 A7 C6 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C68C6A730, 40 bytes long.
 Data: <&#192;!&#199;h     &#184;wj    > C0 21 C7 68 0C 02 00 00 20 B8 77 6A 0C 02 00 00 
{256} normal block at 0x0000020C68C72490, 16 bytes long.
 Data: <P,&#199;h            > 50 2C C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020C68C71C20, 16 bytes long.
 Data: <(,&#199;h            > 28 2C C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020C68C6BC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020C68C728F0, 16 bytes long.
 Data: < ,&#199;h            > 00 2C C7 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020C68C72C00, 992 bytes long.
 Data: <&#240;(&#199;h    @&#188;&#198;h    > F0 28 C7 68 0C 02 00 00 40 BC C6 68 0C 02 00 00 
{88} normal block at 0x0000020C68C6C4E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000020C68C66200, 16 bytes long.
 Data: < &#164;&#198;h            > 90 A4 C6 68 0C 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020C68C6A490, 40 bytes long.
 Data: < b&#198;h    &#224;&#196;&#198;h    > 00 62 C6 68 0C 02 00 00 E0 C4 C6 68 0C 02 00 00 
{65} normal block at 0x0000020C68C65DF0, 16 bytes long.
 Data: < &#234;&#192;j&#247;           > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C68C65490, 16 bytes long.
 Data: <@&#233;&#192;j&#247;           > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C68C65A80, 16 bytes long.
 Data: <&#248;W&#189;j&#247;           > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C68C65A30, 16 bytes long.
 Data: <&#216;W&#189;j&#247;           > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020C68C659E0, 16 bytes long.
 Data: <P &#189;j&#247;           > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020C68C65C10, 16 bytes long.
 Data: <0 &#189;j&#247;           > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020C68C653F0, 16 bytes long.
 Data: <&#224; &#189;j&#247;           > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020C68C65440, 16 bytes long.
 Data: <  &#189;j&#247;           > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020C68C66160, 16 bytes long.
 Data: <p &#189;j&#247;           > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020C68C65B70, 16 bytes long.
 Data: < &#192;&#187;j&#247;           > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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