Task 38681620

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2509_0
Workunit 31623280
Created 27 Oct 2026, 4:40:30 UTC
Sent 27 Oct 2026, 4:40:38 UTC
Report deadline 1 Nov 2026, 4:40:38 UTC
Received 27 Oct 2026, 5:41:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 30 min 22 sec
CPU time 28 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.21 MB
Peak swap size 6.90 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:12:21 (11912): wrapper (7.9.26016): starting
00:12:21 (11912): 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
00:12:23 (11912): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:12:23 (11912): 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
00:41:08 (11912): C:/Windows/system32/cmd.exe exited; CPU time 1688.390625
00:41:08 (11912): 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: 21585487 bytes.
Dumping objects ->
{3835234} normal block at 0x000001F3658DA900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001F363BE6590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001F363BE6600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001F363BE6C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001F363BE6C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001F3658E60F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001F365900540, 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) : {3835145} normal block at 0x000001F363BDE770, 8 bytes long.
 Data: <   d&#243;   > 00 00 10 64 F3 01 00 00 
{3834542} normal block at 0x000001F3658FFD00, 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 0x000001F363BDEBD0, 8 bytes long.
 Data: <0&#235;&#203;c&#243;   > 30 EB CB 63 F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F363BE0EC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F363BCF140, 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 0x000001F363BE7C00, 16 bytes long.
 Data: <  &#190;c&#243;           > 88 80 BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F363BE7160, 16 bytes long.
 Data: <` &#190;c&#243;           > 60 80 BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F363BE01F0, 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 0x000001F363BE77A0, 16 bytes long.
 Data: <8 &#190;c&#243;           > 38 80 BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F363BE7520, 16 bytes long.
 Data: <  &#190;c&#243;           > 10 80 BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F363BE6FD0, 16 bytes long.
 Data: <&#232; &#190;c&#243;           > E8 7F BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F363BE7110, 16 bytes long.
 Data: <&#192; &#190;c&#243;           > C0 7F BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F363BE68A0, 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 0x000001F363BE7980, 16 bytes long.
 Data: <X &#189;c&#243;           > 58 8D BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F363BDF9B0, 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 0x000001F363BE6F80, 16 bytes long.
 Data: <0 &#189;c&#243;           > 30 8D BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F363BE6DF0, 16 bytes long.
 Data: <  &#189;c&#243;           > 08 8D BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F363BE72A0, 16 bytes long.
 Data: <&#224;&#140;&#189;c&#243;           > E0 8C BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F363BE6F30, 16 bytes long.
 Data: <&#184;&#140;&#189;c&#243;           > B8 8C BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F363BE7200, 16 bytes long.
 Data: < &#140;&#189;c&#243;           > 90 8C BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F363BE7340, 16 bytes long.
 Data: <h&#140;&#189;c&#243;           > 68 8C BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F363BDFE90, 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 0x000001F363BE7390, 16 bytes long.
 Data: <@&#140;&#189;c&#243;           > 40 8C BD 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F363BD8C40, 320 bytes long.
 Data: < s&#190;c&#243;    &#254;&#189;c&#243;   > 90 73 BE 63 F3 01 00 00 90 FE BD 63 F3 01 00 00 
{276} normal block at 0x000001F363BE70C0, 16 bytes long.
 Data: <&#160; &#190;c&#243;           > A0 7F BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F363BE7930, 16 bytes long.
 Data: <x &#190;c&#243;           > 78 7F BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F363BDF7D0, 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 0x000001F363BE7700, 16 bytes long.
 Data: <P &#190;c&#243;           > 50 7F BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F363BDFAD0, 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 0x000001F363BE6EE0, 16 bytes long.
 Data: < ~&#190;c&#243;           > 98 7E BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F363BE6DA0, 16 bytes long.
 Data: <p~&#190;c&#243;           > 70 7E BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F363BE7750, 16 bytes long.
 Data: <H~&#190;c&#243;           > 48 7E BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F363BE72F0, 16 bytes long.
 Data: < ~&#190;c&#243;           > 20 7E BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F363BE7660, 16 bytes long.
 Data: <&#248;}&#190;c&#243;           > F8 7D BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F363BE78E0, 16 bytes long.
 Data: <&#208;}&#190;c&#243;           > D0 7D BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F363BE74D0, 16 bytes long.
 Data: <&#240;i&#190;c&#243;           > F0 69 BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F363BE69F0, 40 bytes long.
 Data: <&#208;t&#190;c&#243;   &#240;`&#142;e&#243;   > D0 74 BE 63 F3 01 00 00 F0 60 8E 65 F3 01 00 00 
{262} normal block at 0x000001F363BE7070, 16 bytes long.
 Data: <&#176;}&#190;c&#243;           > B0 7D BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F363BE7020, 16 bytes long.
 Data: < }&#190;c&#243;           > 88 7D BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F363BDFC50, 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 0x000001F363BE7890, 16 bytes long.
 Data: <`}&#190;c&#243;           > 60 7D BE 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F363BE7D60, 992 bytes long.
 Data: < x&#190;c&#243;   P&#252;&#189;c&#243;   > 90 78 BE 63 F3 01 00 00 50 FC BD 63 F3 01 00 00 
{94} normal block at 0x000001F363BDF770, 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 0x000001F363BDF490, 16 bytes long.
 Data: <0&#230;&#188;c&#243;           > 30 E6 BC 63 F3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F363BCE630, 40 bytes long.
 Data: < &#244;&#189;c&#243;   p&#247;&#189;c&#243;   > 90 F4 BD 63 F3 01 00 00 70 F7 BD 63 F3 01 00 00 
{71} normal block at 0x000001F363BDF120, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F363BDE720, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F363BDE900, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F363BDE6D0, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F363BDEE00, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F363BDEA90, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F363BDEFE0, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F363BDF3A0, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F363BDEE50, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F363BDF260, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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