Task 38675449

Name test_2-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND3047_0
Workunit 31617421
Created 26 Oct 2026, 8:17:58 UTC
Sent 26 Oct 2026, 8:18:03 UTC
Report deadline 31 Oct 2026, 8:18:03 UTC
Received 26 Oct 2026, 9:46:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 35 sec
CPU time 29 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.11 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:16:55 (13992): wrapper (7.9.26016): starting
10:16:55 (13992): 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
10:16:56 (13992): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:16:56 (13992): 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
10:45:44 (13992): C:/Windows/system32/cmd.exe exited; CPU time 1751.937500
10:45:44 (13992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 20552947 bytes.
Dumping objects ->
{3835245} normal block at 0x000002E0D3D51090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002E0D3D50FB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002E0D3D50DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000002E0D3D51560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002E0D3D51480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000002E0D3DFB510, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000002E0D2249560, 140 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) : {3835156} normal block at 0x000002E0D21E7430, 8 bytes long.
 Data: <   &#210;&#224;   > 00 00 1B D2 E0 02 00 00 
{3834558} normal block at 0x000002E0D2249B10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002E0D21E66C0, 8 bytes long.
 Data: <pt&#229;&#211;&#224;   > 70 74 E5 D3 E0 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002E0D21F1120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002E0D21D5DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002E0D21F27A0, 16 bytes long.
 Data: < 8 &#210;&#224;           > 98 38 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002E0D21F25C0, 16 bytes long.
 Data: <p8 &#210;&#224;           > 70 38 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002E0D21ECD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002E0D21F2520, 16 bytes long.
 Data: <H8 &#210;&#224;           > 48 38 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E0D21F2430, 16 bytes long.
 Data: < 8 &#210;&#224;           > 20 38 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002E0D21F2750, 16 bytes long.
 Data: <&#248;7 &#210;&#224;           > F8 37 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002E0D21F2340, 16 bytes long.
 Data: <&#208;7 &#210;&#224;           > D0 37 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E0D21EB430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002E0D21F2660, 16 bytes long.
 Data: <H] &#210;&#224;           > 48 5D 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E0D21ECFD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002E0D21F2F70, 16 bytes long.
 Data: < ] &#210;&#224;           > 20 5D 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002E0D21F2A70, 16 bytes long.
 Data: <&#248;\ &#210;&#224;           > F8 5C 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002E0D21F23E0, 16 bytes long.
 Data: <&#208;\ &#210;&#224;           > D0 5C 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E0D21F2A20, 16 bytes long.
 Data: <&#168;\ &#210;&#224;           > A8 5C 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E0D21F2480, 16 bytes long.
 Data: < \ &#210;&#224;           > 80 5C 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E0D21F29D0, 16 bytes long.
 Data: <X\ &#210;&#224;           > 58 5C 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E0D21ECA90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002E0D21F22F0, 16 bytes long.
 Data: <0\ &#210;&#224;           > 30 5C 1D D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E0D21D5C30, 320 bytes long.
 Data: <&#240;" &#210;&#224;    &#202; &#210;&#224;   > F0 22 1F D2 E0 02 00 00 90 CA 1E D2 E0 02 00 00 
{279} normal block at 0x000002E0D21F2890, 16 bytes long.
 Data: <&#176;7 &#210;&#224;           > B0 37 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E0D21F2FC0, 16 bytes long.
 Data: < 7 &#210;&#224;           > 88 37 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002E0D21ECF70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002E0D21F2610, 16 bytes long.
 Data: <`7 &#210;&#224;           > 60 37 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E0D21ECC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002E0D21F2200, 16 bytes long.
 Data: <&#168;6 &#210;&#224;           > A8 36 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E0D21F2390, 16 bytes long.
 Data: < 6 &#210;&#224;           > 80 36 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002E0D21F2D90, 16 bytes long.
 Data: <X6 &#210;&#224;           > 58 36 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E0D21F2BB0, 16 bytes long.
 Data: <06 &#210;&#224;           > 30 36 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E0D21F22A0, 16 bytes long.
 Data: < 6 &#210;&#224;           > 08 36 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E0D21F2B60, 16 bytes long.
 Data: <&#224;5 &#210;&#224;           > E0 35 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E0D21F2B10, 16 bytes long.
 Data: < &#181; &#210;&#224;           > 80 B5 1E D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002E0D21EB580, 40 bytes long.
 Data: < + &#210;&#224;    &#181;&#223;&#211;&#224;   > 10 2B 1F D2 E0 02 00 00 10 B5 DF D3 E0 02 00 00 
{265} normal block at 0x000002E0D21F2F20, 16 bytes long.
 Data: <&#192;5 &#210;&#224;           > C0 35 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E0D21F27F0, 16 bytes long.
 Data: < 5 &#210;&#224;           > 98 35 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002E0D21ECA30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002E0D21F21B0, 16 bytes long.
 Data: <p5 &#210;&#224;           > 70 35 1F D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E0D21F3570, 992 bytes long.
 Data: <&#176;! &#210;&#224;   0&#202; &#210;&#224;   > B0 21 1F D2 E0 02 00 00 30 CA 1E D2 E0 02 00 00 
{97} normal block at 0x000002E0D21ED750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002E0D21E71B0, 16 bytes long.
 Data: < &#184; &#210;&#224;           > 90 B8 1E D2 E0 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002E0D21EB890, 40 bytes long.
 Data: <&#176;q &#210;&#224;   P&#215; &#210;&#224;   > B0 71 1E D2 E0 02 00 00 50 D7 1E D2 E0 02 00 00 
{74} normal block at 0x000002E0D21E6530, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002E0D21E6FD0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002E0D21E6A30, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002E0D21E6EE0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002E0D21E6DF0, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002E0D21E6D50, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E0D21E7160, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E0D21E6A80, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E0D21E7250, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E0D21E7070, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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