Task 38666475

Name test_324-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3407_0
Workunit 31609374
Created 25 Oct 2026, 3:26:02 UTC
Sent 25 Oct 2026, 4:21:33 UTC
Report deadline 30 Oct 2026, 4:21:33 UTC
Received 25 Oct 2026, 4:45:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 592287
Run time 21 min 1 sec
CPU time 16 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 110,979.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 765.41 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:24:46 (29012): wrapper (7.9.26016): starting
21:24:46 (29012): 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
21:24:47 (29012): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:24:47 (29012): 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\0\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\0\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
21:44:51 (29012): C:/Windows/system32/cmd.exe exited; CPU time 967.390625
21:44:51 (29012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22948111 bytes.
Dumping objects ->
{3835544} normal block at 0x0000029E68DB65D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000029E68DB6560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835522} normal block at 0x0000029E68DB6330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835511} normal block at 0x0000029E68DB6480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x0000029E68DB6410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835469} normal block at 0x0000029E6ABF7700, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835458} normal block at 0x0000029E6AC10690, 102 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) : {3835455} normal block at 0x0000029E68DAE640, 8 bytes long.
 Data: <  :i&#158;   > 00 00 3A 69 9E 02 00 00 
{3834698} normal block at 0x0000029E6AC105E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000029E68DAF090, 8 bytes long.
 Data: <&#208;V&#197;j&#158;   > D0 56 C5 6A 9E 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029E68DB2DE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029E68DA7910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000029E68DB7460, 16 bytes long.
 Data: <8~&#219;h&#158;           > 38 7E DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029E68DB7410, 16 bytes long.
 Data: < ~&#219;h&#158;           > 10 7E DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029E68DB13D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000029E68DB7370, 16 bytes long.
 Data: <&#232;}&#219;h&#158;           > E8 7D DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029E68DB7320, 16 bytes long.
 Data: <&#192;}&#219;h&#158;           > C0 7D DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029E68DB7A00, 16 bytes long.
 Data: < }&#219;h&#158;           > 98 7D DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000029E68DB7910, 16 bytes long.
 Data: <p}&#219;h&#158;           > 70 7D DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029E68DB6170, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000029E68DB7050, 16 bytes long.
 Data: < &#192;&#217;h&#158;           > 98 C0 D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029E68DB1D30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000029E68DB73C0, 16 bytes long.
 Data: <p&#192;&#217;h&#158;           > 70 C0 D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029E68DB7000, 16 bytes long.
 Data: <H&#192;&#217;h&#158;           > 48 C0 D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029E68DB6E70, 16 bytes long.
 Data: < &#192;&#217;h&#158;           > 20 C0 D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029E68DB7280, 16 bytes long.
 Data: <&#248;&#191;&#217;h&#158;           > F8 BF D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029E68DB7730, 16 bytes long.
 Data: <&#208;&#191;&#217;h&#158;           > D0 BF D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029E68DB72D0, 16 bytes long.
 Data: <&#168;&#191;&#217;h&#158;           > A8 BF D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029E68DB1850, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000029E68DB6F10, 16 bytes long.
 Data: < &#191;&#217;h&#158;           > 80 BF D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029E68D9BF80, 320 bytes long.
 Data: < o&#219;h&#158;   P &#219;h&#158;   > 10 6F DB 68 9E 02 00 00 50 18 DB 68 9E 02 00 00 
{276} normal block at 0x0000029E68DB71E0, 16 bytes long.
 Data: <P}&#219;h&#158;           > 50 7D DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029E68DB7A50, 16 bytes long.
 Data: <(}&#219;h&#158;           > 28 7D DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029E68DB1C10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000029E68DB7820, 16 bytes long.
 Data: < }&#219;h&#158;           > 00 7D DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029E68DB1250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000029E68DB75F0, 16 bytes long.
 Data: <H|&#219;h&#158;           > 48 7C DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029E68DB7140, 16 bytes long.
 Data: < |&#219;h&#158;           > 20 7C DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029E68DB7190, 16 bytes long.
 Data: <&#248;{&#219;h&#158;           > F8 7B DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029E68DB6FB0, 16 bytes long.
 Data: <&#208;{&#219;h&#158;           > D0 7B DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029E68DB7230, 16 bytes long.
 Data: <&#168;{&#219;h&#158;           > A8 7B DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029E68DB77D0, 16 bytes long.
 Data: < {&#219;h&#158;           > 80 7B DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029E68DB6D30, 16 bytes long.
 Data: <&#224;a&#219;h&#158;           > E0 61 DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029E68DB61E0, 40 bytes long.
 Data: <0m&#219;h&#158;    w&#191;j&#158;   > 30 6D DB 68 9E 02 00 00 00 77 BF 6A 9E 02 00 00 
{262} normal block at 0x0000029E68DB74B0, 16 bytes long.
 Data: <`{&#219;h&#158;           > 60 7B DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029E68DB76E0, 16 bytes long.
 Data: <8{&#219;h&#158;           > 38 7B DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029E68DB11F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000029E68DB6CE0, 16 bytes long.
 Data: < {&#219;h&#158;           > 10 7B DB 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029E68DB7B10, 992 bytes long.
 Data: <&#224;l&#219;h&#158;   &#240; &#219;h&#158;   > E0 6C DB 68 9E 02 00 00 F0 11 DB 68 9E 02 00 00 
{94} normal block at 0x0000029E68DB1190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000029E68DAE5F0, 16 bytes long.
 Data: <`&#240;&#217;h&#158;           > 60 F0 D9 68 9E 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000029E68D9F060, 40 bytes long.
 Data: <&#240;&#229;&#218;h&#158;     &#219;h&#158;   > F0 E5 DA 68 9E 02 00 00 90 11 DB 68 9E 02 00 00 
{71} normal block at 0x0000029E68DAE9B0, 16 bytes long.
 Data: < &#234;&#224;&#190;&#247;           > 80 EA E0 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029E68DAE3C0, 16 bytes long.
 Data: <@&#233;&#224;&#190;&#247;           > 40 E9 E0 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029E68DAE4B0, 16 bytes long.
 Data: <&#248;W&#221;&#190;&#247;           > F8 57 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029E68DAEC30, 16 bytes long.
 Data: <&#216;W&#221;&#190;&#247;           > D8 57 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029E68DAEFF0, 16 bytes long.
 Data: <P &#221;&#190;&#247;           > 50 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029E68DAE8C0, 16 bytes long.
 Data: <0 &#221;&#190;&#247;           > 30 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029E68DAE370, 16 bytes long.
 Data: <&#224; &#221;&#190;&#247;           > E0 02 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029E68DAE2D0, 16 bytes long.
 Data: <  &#221;&#190;&#247;           > 10 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029E68DAEBE0, 16 bytes long.
 Data: <p &#221;&#190;&#247;           > 70 04 DD BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029E68DAEE10, 16 bytes long.
 Data: < &#192;&#219;&#190;&#247;           > 18 C0 DB BE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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