Task 38693392

Name test_911-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND3699_0
Workunit 31634205
Created 30 Oct 2026, 10:06:48 UTC
Sent 30 Oct 2026, 10:06:56 UTC
Report deadline 4 Nov 2026, 10:06:56 UTC
Received 31 Oct 2026, 15:44:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592673
Run time 36 min 10 sec
CPU time 29 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.48 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:09:08 (23724): wrapper (7.9.26016): starting
16:09:08 (23724): 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
16:09:10 (23724): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:09:10 (23724): 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
16:42:14 (23724): C:/Windows/system32/cmd.exe exited; CPU time 1783.375000
16:42:14 (23724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25722479 bytes.
Dumping objects ->
{3835327} normal block at 0x0000024A6ACB5040, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835316} normal block at 0x0000024A6ACB5C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835305} normal block at 0x0000024A6ACB5D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835294} normal block at 0x0000024A6ACB5740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x0000024A6ACB5CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835252} normal block at 0x0000024A6C774BB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x0000024A6AC88D90, 200 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) : {3835238} normal block at 0x0000024A6AC91460, 8 bytes long.
 Data: <  &#137;lJ   > 00 00 89 6C 4A 02 00 00 
{3834587} normal block at 0x0000024A6AC89A50, 200 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 0x0000024A6AC91050, 8 bytes long.
 Data: <&#208; }lJ   > D0 0B 7D 6C 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000024A6AC91BD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024A6AC7B770, 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 0x0000024A6AC87000, 16 bytes long.
 Data: <(-&#201;jJ           > 28 2D C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024A6AC86F60, 16 bytes long.
 Data: < -&#201;jJ           > 00 2D C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024A6AC8DA60, 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 0x0000024A6AC86B50, 16 bytes long.
 Data: <&#216;,&#201;jJ           > D8 2C C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024A6AC87A00, 16 bytes long.
 Data: <&#176;,&#201;jJ           > B0 2C C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024A6AC87910, 16 bytes long.
 Data: < ,&#201;jJ           > 88 2C C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024A6AC86F10, 16 bytes long.
 Data: <`,&#201;jJ           > 60 2C C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024A6AC8BB60, 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 0x0000024A6AC86EC0, 16 bytes long.
 Data: <&#232;\&#199;jJ           > E8 5C C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024A6AC8D760, 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 0x0000024A6AC870F0, 16 bytes long.
 Data: <&#192;\&#199;jJ           > C0 5C C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024A6AC87730, 16 bytes long.
 Data: < \&#199;jJ           > 98 5C C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024A6AC87500, 16 bytes long.
 Data: <p\&#199;jJ           > 70 5C C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024A6AC87410, 16 bytes long.
 Data: <H\&#199;jJ           > 48 5C C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024A6AC91320, 16 bytes long.
 Data: < \&#199;jJ           > 20 5C C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024A6AC91140, 16 bytes long.
 Data: <&#248;[&#199;jJ           > F8 5B C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024A6AC8D8E0, 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 0x0000024A6AC912D0, 16 bytes long.
 Data: <&#208;[&#199;jJ           > D0 5B C7 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024A6AC75BD0, 320 bytes long.
 Data: <&#208; &#201;jJ   &#224;&#216;&#200;jJ   > D0 12 C9 6A 4A 02 00 00 E0 D8 C8 6A 4A 02 00 00 
{269} normal block at 0x0000024A6AC910F0, 16 bytes long.
 Data: <@,&#201;jJ           > 40 2C C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024A6AC911E0, 16 bytes long.
 Data: < ,&#201;jJ           > 18 2C C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024A6AC8CF80, 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 0x0000024A6AC91190, 16 bytes long.
 Data: <&#240;+&#201;jJ           > F0 2B C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024A6AC8D640, 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 0x0000024A6AC916E0, 16 bytes long.
 Data: <8+&#201;jJ           > 38 2B C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024A6AC91280, 16 bytes long.
 Data: < +&#201;jJ           > 10 2B C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024A6AC910A0, 16 bytes long.
 Data: <&#232;*&#201;jJ           > E8 2A C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024A6AC91690, 16 bytes long.
 Data: <&#192;*&#201;jJ           > C0 2A C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024A6AC91550, 16 bytes long.
 Data: < *&#201;jJ           > 98 2A C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024A6AC91780, 16 bytes long.
 Data: <p*&#201;jJ           > 70 2A C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024A6AC91230, 16 bytes long.
 Data: <&#240;&#186;&#200;jJ           > F0 BA C8 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024A6AC8BAF0, 40 bytes long.
 Data: <0 &#201;jJ   &#176;KwlJ   > 30 12 C9 6A 4A 02 00 00 B0 4B 77 6C 4A 02 00 00 
{255} normal block at 0x0000024A6AC91410, 16 bytes long.
 Data: <P*&#201;jJ           > 50 2A C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024A6AC913C0, 16 bytes long.
 Data: <(*&#201;jJ           > 28 2A C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024A6AC8D880, 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 0x0000024A6AC915F0, 16 bytes long.
 Data: < *&#201;jJ           > 00 2A C9 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000024A6AC92A00, 992 bytes long.
 Data: <&#240; &#201;jJ    &#216;&#200;jJ   > F0 15 C9 6A 4A 02 00 00 80 D8 C8 6A 4A 02 00 00 
{87} normal block at 0x0000024A6AC8D460, 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 0x0000024A6AC86E70, 16 bytes long.
 Data: <&#192;&#184;&#200;jJ           > C0 B8 C8 6A 4A 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000024A6AC8B8C0, 40 bytes long.
 Data: <pn&#200;jJ   `&#212;&#200;jJ   > 70 6E C8 6A 4A 02 00 00 60 D4 C8 6A 4A 02 00 00 
{64} normal block at 0x0000024A6AC86E20, 16 bytes long.
 Data: < &#234;&#201;&#223;&#247;           > 80 EA C9 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024A6AC86D80, 16 bytes long.
 Data: <@&#233;&#201;&#223;&#247;           > 40 E9 C9 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024A6AC87960, 16 bytes long.
 Data: <&#248;W&#198;&#223;&#247;           > F8 57 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024A6AC876E0, 16 bytes long.
 Data: <&#216;W&#198;&#223;&#247;           > D8 57 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024A6AC87A50, 16 bytes long.
 Data: <P &#198;&#223;&#247;           > 50 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024A6AC87780, 16 bytes long.
 Data: <0 &#198;&#223;&#247;           > 30 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024A6AC87460, 16 bytes long.
 Data: <&#224; &#198;&#223;&#247;           > E0 02 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024A6AC86BF0, 16 bytes long.
 Data: <  &#198;&#223;&#247;           > 10 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024A6AC877D0, 16 bytes long.
 Data: <p &#198;&#223;&#247;           > 70 04 C6 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024A6AC87870, 16 bytes long.
 Data: < &#192;&#196;&#223;&#247;           > 18 C0 C4 DF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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