Task 38675211

Name test_615-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3410_1
Workunit 31610156
Created 26 Oct 2026, 7:37:24 UTC
Sent 26 Oct 2026, 7:37:41 UTC
Report deadline 31 Oct 2026, 7:37:41 UTC
Received 26 Oct 2026, 8:52:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631893
Run time 33 min 37 sec
CPU time 31 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.30 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:20:05 (27620): wrapper (7.9.26016): starting
03:20:05 (27620): 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
03:20:07 (27620): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:20:07 (27620): 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
03:52:32 (27620): C:/Windows/system32/cmd.exe exited; CPU time 1914.656250
03:52:32 (27620): 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: 31372651 bytes.
Dumping objects ->
{3835441} normal block at 0x00000213636C7040, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835430} normal block at 0x00000213636C6FD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x00000213636C6EF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835408} normal block at 0x00000213636C6E80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835397} normal block at 0x00000213636C6E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835366} normal block at 0x0000021365488BC0, 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) : {3835353} normal block at 0x00000213636BE3E0, 8 bytes long.
 Data: <  fc    > 00 00 66 63 13 02 00 00 
{3833965} normal block at 0x00000213636BE4D0, 8 bytes long.
 Data: <p{Qe    > 70 7B 51 65 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000213636BECC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000213636B70D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000213636C78B0, 16 bytes long.
 Data: <8&#135;lc            > 38 87 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000213636C7860, 16 bytes long.
 Data: < &#135;lc            > 10 87 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000213636C0770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000213636C7B80, 16 bytes long.
 Data: <&#232;&#134;lc            > E8 86 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000213636C7EF0, 16 bytes long.
 Data: <&#192;&#134;lc            > C0 86 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000213636C7810, 16 bytes long.
 Data: < &#134;lc            > 98 86 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000213636C7EA0, 16 bytes long.
 Data: <p&#134;lc            > 70 86 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000213636C6BE0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000213636C77C0, 16 bytes long.
 Data: <&#248;&#250;jc            > F8 FA 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000213636C06B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000213636C7F40, 16 bytes long.
 Data: <&#208;&#250;jc            > D0 FA 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000213636C7770, 16 bytes long.
 Data: <&#168;&#250;jc            > A8 FA 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000213636C7AE0, 16 bytes long.
 Data: < &#250;jc            > 80 FA 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000213636C7C70, 16 bytes long.
 Data: <X&#250;jc            > 58 FA 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000213636C8260, 16 bytes long.
 Data: <0&#250;jc            > 30 FA 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000213636C7FE0, 16 bytes long.
 Data: < &#250;jc            > 08 FA 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000213636C0710, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000213636C7720, 16 bytes long.
 Data: <&#224;&#249;jc            > E0 F9 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000213636AF9E0, 320 bytes long.
 Data: < wlc      lc    > 20 77 6C 63 13 02 00 00 10 07 6C 63 13 02 00 00 
{278} normal block at 0x00000213636C7F90, 16 bytes long.
 Data: <P&#134;lc            > 50 86 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000213636C7680, 16 bytes long.
 Data: <(&#134;lc            > 28 86 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000213636C0E30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000213636C74F0, 16 bytes long.
 Data: < &#134;lc            > 00 86 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000213636C0D70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000213636C75E0, 16 bytes long.
 Data: <H&#133;lc            > 48 85 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000213636C74A0, 16 bytes long.
 Data: < &#133;lc            > 20 85 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000213636C7B30, 16 bytes long.
 Data: <&#248;&#132;lc            > F8 84 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000213636C80D0, 16 bytes long.
 Data: <&#208;&#132;lc            > D0 84 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000213636C7450, 16 bytes long.
 Data: <&#168;&#132;lc            > A8 84 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000213636C82B0, 16 bytes long.
 Data: < &#132;lc            > 80 84 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000213636C8120, 16 bytes long.
 Data: <pklc            > 70 6B 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000213636C6B70, 40 bytes long.
 Data: <  lc    &#192;&#139;He    > 20 81 6C 63 13 02 00 00 C0 8B 48 65 13 02 00 00 
{264} normal block at 0x00000213636C7590, 16 bytes long.
 Data: <`&#132;lc            > 60 84 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000213636C7CC0, 16 bytes long.
 Data: <8&#132;lc            > 38 84 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000213636C0650, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000213636C76D0, 16 bytes long.
 Data: < &#132;lc            > 10 84 6C 63 13 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000213636C8410, 992 bytes long.
 Data: <&#208;vlc    P lc    > D0 76 6C 63 13 02 00 00 50 06 6C 63 13 02 00 00 
{96} normal block at 0x00000213636C0BF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000213636BE2F0, 16 bytes long.
 Data: <P&#228;jc            > 50 E4 6A 63 13 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000213636AE450, 40 bytes long.
 Data: <&#240;&#226;kc    &#240; lc    > F0 E2 6B 63 13 02 00 00 F0 0B 6C 63 13 02 00 00 
{73} normal block at 0x00000213636BE610, 16 bytes long.
 Data: < &#234;&#192;&#231;&#247;           > 80 EA C0 E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000213636BE480, 16 bytes long.
 Data: <@&#233;&#192;&#231;&#247;           > 40 E9 C0 E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000213636BE250, 16 bytes long.
 Data: <&#248;W&#189;&#231;&#247;           > F8 57 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000213636BE340, 16 bytes long.
 Data: <&#216;W&#189;&#231;&#247;           > D8 57 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000213636BE390, 16 bytes long.
 Data: <P &#189;&#231;&#247;           > 50 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000213636BE5C0, 16 bytes long.
 Data: <0 &#189;&#231;&#247;           > 30 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000213636BEA70, 16 bytes long.
 Data: <&#224; &#189;&#231;&#247;           > E0 02 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000213636BDD00, 16 bytes long.
 Data: <  &#189;&#231;&#247;           > 10 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000213636BDDF0, 16 bytes long.
 Data: <p &#189;&#231;&#247;           > 70 04 BD E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000213636BDF30, 16 bytes long.
 Data: < &#192;&#187;&#231;&#247;           > 18 C0 BB E7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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