Task 38686849

Name test_733-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6306_0
Workunit 31628258
Created 28 Oct 2026, 4:41:49 UTC
Sent 28 Oct 2026, 4:41:53 UTC
Report deadline 2 Nov 2026, 4:41:53 UTC
Received 28 Oct 2026, 6:25:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 50 min 52 sec
CPU time 45 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.72 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:34:39 (2016): wrapper (7.9.26016): starting
01:34:39 (2016): 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
01:34:41 (2016): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:34:41 (2016): 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\33\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\33\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
02:24:16 (2016): C:/Windows/system32/cmd.exe exited; CPU time 2744.453125
02:24:16 (2016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 67138393 bytes.
Dumping objects ->
{3835230} normal block at 0x000001880D4CCCF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001880B6F4990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001880B6F4840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x000001880B6F47D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001880B6F4760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000001880D51A8C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x000001880D440B90, 160 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) : {3835141} normal block at 0x000001880B6EF940, 8 bytes long.
 Data: <  j     > 00 00 6A 0B 88 01 00 00 
{3834544} normal block at 0x000001880D440E30, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001880B6F02A0, 8 bytes long.
 Data: < &#166;R     > 00 A6 52 0D 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001880B6F0F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001880B6E6070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001880B6F6100, 16 bytes long.
 Data: < do             > 98 64 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001880B6F5340, 16 bytes long.
 Data: <pdo             > 70 64 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001880B6EF0E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001880B6F5750, 16 bytes long.
 Data: <Hdo             > 48 64 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001880B6F5700, 16 bytes long.
 Data: < do             > 20 64 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001880B6F5A20, 16 bytes long.
 Data: <&#248;co             > F8 63 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001880B6F5390, 16 bytes long.
 Data: <&#208;co             > D0 63 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001880B6F4B50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001880B6F6010, 16 bytes long.
 Data: <  n             > 88 8F 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001880B6EF080, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001880B6F5250, 16 bytes long.
 Data: <` n             > 60 8F 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001880B6F5F20, 16 bytes long.
 Data: <8 n             > 38 8F 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001880B6F53E0, 16 bytes long.
 Data: <  n             > 10 8F 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001880B6F5F70, 16 bytes long.
 Data: <&#232;&#142;n             > E8 8E 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001880B6F54D0, 16 bytes long.
 Data: <&#192;&#142;n             > C0 8E 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001880B6F57A0, 16 bytes long.
 Data: < &#142;n             > 98 8E 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001880B6EEFC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001880B6F5B10, 16 bytes long.
 Data: <p&#142;n             > 70 8E 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001880B6E8E70, 320 bytes long.
 Data: < [o     &#192;&#239;n     > 10 5B 6F 0B 88 01 00 00 C0 EF 6E 0B 88 01 00 00 
{275} normal block at 0x000001880B6F52F0, 16 bytes long.
 Data: <&#176;co             > B0 63 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001880B6F5ED0, 16 bytes long.
 Data: < co             > 88 63 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001880B6EE7E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001880B6F5480, 16 bytes long.
 Data: <`co             > 60 63 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001880B6EEC60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001880B6F58E0, 16 bytes long.
 Data: <&#168;bo             > A8 62 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001880B6F5200, 16 bytes long.
 Data: < bo             > 80 62 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001880B6F56B0, 16 bytes long.
 Data: <Xbo             > 58 62 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001880B6F5E80, 16 bytes long.
 Data: <0bo             > 30 62 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001880B6F5AC0, 16 bytes long.
 Data: < bo             > 08 62 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001880B6F5FC0, 16 bytes long.
 Data: <&#224;ao             > E0 61 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001880B6F5A70, 16 bytes long.
 Data: <&#240;Fo             > F0 46 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001880B6F46F0, 40 bytes long.
 Data: <pZo     &#192;&#168;Q     > 70 5A 6F 0B 88 01 00 00 C0 A8 51 0D 88 01 00 00 
{261} normal block at 0x000001880B6F60B0, 16 bytes long.
 Data: <&#192;ao             > C0 61 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001880B6F5E30, 16 bytes long.
 Data: < ao             > 98 61 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001880B6EEA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001880B6F5430, 16 bytes long.
 Data: <pao             > 70 61 6F 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001880B6F6170, 992 bytes long.
 Data: <0To      &#234;n     > 30 54 6F 0B 88 01 00 00 20 EA 6E 0B 88 01 00 00 
{93} normal block at 0x000001880B6EEE40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001880B6EFDA0, 16 bytes long.
 Data: <P&#229;n             > 50 E5 6E 0B 88 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001880B6EE550, 40 bytes long.
 Data: <&#160;&#253;n     @&#238;n     > A0 FD 6E 0B 88 01 00 00 40 EE 6E 0B 88 01 00 00 
{70} normal block at 0x000001880B6EFF80, 16 bytes long.
 Data: < &#234; 0&#247;           > 80 EA 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001880B6EF670, 16 bytes long.
 Data: <@&#233; 0&#247;           > 40 E9 13 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001880B6EFF30, 16 bytes long.
 Data: <&#248;W 0&#247;           > F8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001880B6EFB20, 16 bytes long.
 Data: <&#216;W 0&#247;           > D8 57 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001880B6EFEE0, 16 bytes long.
 Data: <P  0&#247;           > 50 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001880B6F0110, 16 bytes long.
 Data: <0  0&#247;           > 30 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001880B6F0570, 16 bytes long.
 Data: <&#224;  0&#247;           > E0 02 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001880B6EFA30, 16 bytes long.
 Data: <   0&#247;           > 10 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001880B6EF9E0, 16 bytes long.
 Data: <p  0&#247;           > 70 04 10 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001880B6EFBC0, 16 bytes long.
 Data: < &#192; 0&#247;           > 18 C0 0E 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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