Task 38681380

Name test_366-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND1961_0
Workunit 31623047
Created 27 Oct 2026, 3:43:57 UTC
Sent 27 Oct 2026, 3:44:02 UTC
Report deadline 1 Nov 2026, 3:44:02 UTC
Received 27 Oct 2026, 5:25:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652906
Run time 33 min 56 sec
CPU time 32 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.96 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:51:09 (39008): wrapper (7.9.26016): starting
00:51:09 (39008): 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
00:51:10 (39008): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:51:10 (39008): 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
01:24:50 (39008): C:/Windows/system32/cmd.exe exited; CPU time 1923.031250
01:24:50 (39008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 44242527 bytes.
Dumping objects ->
{3835247} normal block at 0x000001D98DD53090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001D98DD53330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001D98DD53170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000001D98BC48530, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001D98BC484C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000001D98DD02210, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x000001D98BC406A0, 8 bytes long.
 Data: <  &#166;&#139;&#217;   > 00 00 A6 8B D9 01 00 00 
{3833953} normal block at 0x000001D98BC40A60, 8 bytes long.
 Data: <&#176;&#234;&#192; &#217;   > B0 EA C0 8D D9 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D98BC50050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D98BC36E10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001D98BC4E270, 16 bytes long.
 Data: < &#232;&#196;&#139;&#217;           > 88 E8 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D98BC4E1D0, 16 bytes long.
 Data: <`&#232;&#196;&#139;&#217;           > 60 E8 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D98BC47150, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001D98BC4E040, 16 bytes long.
 Data: <8&#232;&#196;&#139;&#217;           > 38 E8 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D98BC4E3B0, 16 bytes long.
 Data: < &#232;&#196;&#139;&#217;           > 10 E8 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D98BC4D640, 16 bytes long.
 Data: <&#232;&#231;&#196;&#139;&#217;           > E8 E7 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D98BC4DFA0, 16 bytes long.
 Data: <&#192;&#231;&#196;&#139;&#217;           > C0 E7 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D98BC48370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001D98BC4DF50, 16 bytes long.
 Data: <&#200;$&#196;&#139;&#217;           > C8 24 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D98BC47210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001D98BC4E180, 16 bytes long.
 Data: <&#160;$&#196;&#139;&#217;           > A0 24 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D98BC4DF00, 16 bytes long.
 Data: <x$&#196;&#139;&#217;           > 78 24 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D98BC4DE60, 16 bytes long.
 Data: <P$&#196;&#139;&#217;           > 50 24 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D98BC4E0E0, 16 bytes long.
 Data: <($&#196;&#139;&#217;           > 28 24 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D98BC4E220, 16 bytes long.
 Data: < $&#196;&#139;&#217;           > 00 24 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D98BC4DE10, 16 bytes long.
 Data: <&#216;#&#196;&#139;&#217;           > D8 23 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D98BC46D90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001D98BC4D6E0, 16 bytes long.
 Data: <&#176;#&#196;&#139;&#217;           > B0 23 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D98BC423B0, 320 bytes long.
 Data: <&#224;&#214;&#196;&#139;&#217;    m&#196;&#139;&#217;   > E0 D6 C4 8B D9 01 00 00 90 6D C4 8B D9 01 00 00 
{272} normal block at 0x000001D98BC4E310, 16 bytes long.
 Data: <&#160;&#231;&#196;&#139;&#217;           > A0 E7 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D98BC4DFF0, 16 bytes long.
 Data: <x&#231;&#196;&#139;&#217;           > 78 E7 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D98BC476F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001D98BC4DBE0, 16 bytes long.
 Data: <P&#231;&#196;&#139;&#217;           > 50 E7 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D98BC47690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001D98BC4DC80, 16 bytes long.
 Data: < &#230;&#196;&#139;&#217;           > 98 E6 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D98BC4DB90, 16 bytes long.
 Data: <p&#230;&#196;&#139;&#217;           > 70 E6 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D98BC4DAA0, 16 bytes long.
 Data: <H&#230;&#196;&#139;&#217;           > 48 E6 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D98BC4DC30, 16 bytes long.
 Data: < &#230;&#196;&#139;&#217;           > 20 E6 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D98BC4D7D0, 16 bytes long.
 Data: <&#248;&#229;&#196;&#139;&#217;           > F8 E5 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D98BC4E4A0, 16 bytes long.
 Data: <&#208;&#229;&#196;&#139;&#217;           > D0 E5 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D98BC4DD70, 16 bytes long.
 Data: <&#176; &#196;&#139;&#217;           > B0 81 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D98BC481B0, 40 bytes long.
 Data: <p&#221;&#196;&#139;&#217;    "&#208; &#217;   > 70 DD C4 8B D9 01 00 00 10 22 D0 8D D9 01 00 00 
{258} normal block at 0x000001D98BC4E130, 16 bytes long.
 Data: <&#176;&#229;&#196;&#139;&#217;           > B0 E5 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D98BC4E450, 16 bytes long.
 Data: < &#229;&#196;&#139;&#217;           > 88 E5 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D98BC47330, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001D98BC4D8C0, 16 bytes long.
 Data: <`&#229;&#196;&#139;&#217;           > 60 E5 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D98BC4E560, 992 bytes long.
 Data: <&#192;&#216;&#196;&#139;&#217;   0s&#196;&#139;&#217;   > C0 D8 C4 8B D9 01 00 00 30 73 C4 8B D9 01 00 00 
{90} normal block at 0x000001D98BC46F70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001D98BC40600, 16 bytes long.
 Data: <` &#196;&#139;&#217;           > 60 80 C4 8B D9 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001D98BC48060, 40 bytes long.
 Data: <  &#196;&#139;&#217;   po&#196;&#139;&#217;   > 00 06 C4 8B D9 01 00 00 70 6F C4 8B D9 01 00 00 
{67} normal block at 0x000001D98BC40470, 16 bytes long.
 Data: < &#234;&#169;&#146;&#247;           > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D98BC40150, 16 bytes long.
 Data: <@&#233;&#169;&#146;&#247;           > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D98BC3FCA0, 16 bytes long.
 Data: <&#248;W&#166;&#146;&#247;           > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D98BC3FED0, 16 bytes long.
 Data: <&#216;W&#166;&#146;&#247;           > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D98BC3FF20, 16 bytes long.
 Data: <P &#166;&#146;&#247;           > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D98BC40970, 16 bytes long.
 Data: <0 &#166;&#146;&#247;           > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D98BC40BF0, 16 bytes long.
 Data: <&#224; &#166;&#146;&#247;           > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D98BC40100, 16 bytes long.
 Data: <  &#166;&#146;&#247;           > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D98BC400B0, 16 bytes long.
 Data: <p &#166;&#146;&#247;           > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D98BC40060, 16 bytes long.
 Data: < &#192;&#164;&#146;&#247;           > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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