Task 38687898

Name test_366-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND1961_0
Workunit 31629269
Created 28 Oct 2026, 10:26:00 UTC
Sent 28 Oct 2026, 10:26:04 UTC
Report deadline 2 Nov 2026, 10:26:04 UTC
Received 28 Oct 2026, 14:18:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 37 min 59 sec
CPU time 35 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.20 MB
Peak swap size 6.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
14:41:17 (13924): wrapper (7.9.26016): starting
14:41:17 (13924): 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
14:41:19 (13924): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:19 (13924): 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\6\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\6\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
15:17:42 (13924): C:/Windows/system32/cmd.exe exited; CPU time 2147.453125
15:17:42 (13924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 36194871 bytes.
Dumping objects ->
{3835240} normal block at 0x00000146B17062F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000146B1706670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000146B17061A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000146B1706520, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000146B1706600, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x00000146B338A410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x00000146B176B830, 144 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) : {3835151} normal block at 0x00000146B16FEB30, 8 bytes long.
 Data: <  &#172;&#177;F   > 00 00 AC B1 46 01 00 00 
{3834552} normal block at 0x00000146B176C1F0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000146B16FEDB0, 8 bytes long.
 Data: <pCA&#179;F   > 70 43 41 B3 46 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000146B1700650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000146B16F5C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000146B1706A80, 16 bytes long.
 Data: <&#216;}p&#177;F           > D8 7D 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000146B1706EE0, 16 bytes long.
 Data: <&#176;}p&#177;F           > B0 7D 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000146B16FFD00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000146B1706990, 16 bytes long.
 Data: < }p&#177;F           > 88 7D 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000146B17069E0, 16 bytes long.
 Data: <`}p&#177;F           > 60 7D 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000146B1706C60, 16 bytes long.
 Data: <8}p&#177;F           > 38 7D 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000146B1706E40, 16 bytes long.
 Data: < }p&#177;F           > 10 7D 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000146B17066E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000146B1707160, 16 bytes long.
 Data: <&#200;_p&#177;F           > C8 5F 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000146B16FF6A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000146B1707840, 16 bytes long.
 Data: <&#160;_p&#177;F           > A0 5F 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000146B1706940, 16 bytes long.
 Data: <x_p&#177;F           > 78 5F 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000146B17070C0, 16 bytes long.
 Data: <P_p&#177;F           > 50 5F 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000146B1706CB0, 16 bytes long.
 Data: <(_p&#177;F           > 28 5F 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000146B1707890, 16 bytes long.
 Data: < _p&#177;F           > 00 5F 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000146B1706DA0, 16 bytes long.
 Data: <&#216;^p&#177;F           > D8 5E 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000146B16FF3A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000146B17077F0, 16 bytes long.
 Data: <&#176;^p&#177;F           > B0 5E 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000146B1705EB0, 320 bytes long.
 Data: <&#240;wp&#177;F   &#160;&#243;o&#177;F   > F0 77 70 B1 46 01 00 00 A0 F3 6F B1 46 01 00 00 
{274} normal block at 0x00000146B1707610, 16 bytes long.
 Data: <&#240;|p&#177;F           > F0 7C 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000146B1707020, 16 bytes long.
 Data: <&#200;|p&#177;F           > C8 7C 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000146B16FFC40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000146B1707570, 16 bytes long.
 Data: <&#160;|p&#177;F           > A0 7C 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000146B16FF640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000146B1707660, 16 bytes long.
 Data: <&#232;{p&#177;F           > E8 7B 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000146B1707390, 16 bytes long.
 Data: <&#192;{p&#177;F           > C0 7B 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000146B1707520, 16 bytes long.
 Data: < {p&#177;F           > 98 7B 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000146B1706FD0, 16 bytes long.
 Data: <p{p&#177;F           > 70 7B 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000146B17074D0, 16 bytes long.
 Data: <H{p&#177;F           > 48 7B 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000146B17077A0, 16 bytes long.
 Data: < {p&#177;F           > 20 7B 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000146B1707750, 16 bytes long.
 Data: <@dp&#177;F           > 40 64 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000146B1706440, 40 bytes long.
 Data: <Pwp&#177;F    &#164;8&#179;F   > 50 77 70 B1 46 01 00 00 10 A4 38 B3 46 01 00 00 
{260} normal block at 0x00000146B1706DF0, 16 bytes long.
 Data: < {p&#177;F           > 00 7B 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000146B17072A0, 16 bytes long.
 Data: <&#216;zp&#177;F           > D8 7A 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000146B16FF0A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000146B1706A30, 16 bytes long.
 Data: <&#176;zp&#177;F           > B0 7A 70 B1 46 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000146B1707AB0, 992 bytes long.
 Data: <0jp&#177;F   &#160;&#240;o&#177;F   > 30 6A 70 B1 46 01 00 00 A0 F0 6F B1 46 01 00 00 
{92} normal block at 0x00000146B16FF340, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000146B16FED60, 16 bytes long.
 Data: <&#208;&#237;n&#177;F           > D0 ED 6E B1 46 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000146B16EEDD0, 40 bytes long.
 Data: <`&#237;o&#177;F   @&#243;o&#177;F   > 60 ED 6F B1 46 01 00 00 40 F3 6F B1 46 01 00 00 
{69} normal block at 0x00000146B16FE7C0, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000146B16FE450, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000146B16FEA90, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000146B16FE950, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000146B16FE770, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000146B16FEA40, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000146B16FEAE0, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000146B16FE6D0, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000146B16FEC70, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000146B16FEC20, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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