Task 38677240

Name test_768-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2803_0
Workunit 31619120
Created 26 Oct 2026, 13:42:24 UTC
Sent 26 Oct 2026, 13:42:27 UTC
Report deadline 31 Oct 2026, 13:42:27 UTC
Received 26 Oct 2026, 14:04:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 20 min 31 sec
CPU time 19 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.26 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:44:13 (44308): wrapper (7.9.26016): starting
07:44:13 (44308): 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
07:44:14 (44308): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:44:14 (44308): 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
08:03:40 (44308): C:/Windows/system32/cmd.exe exited; CPU time 1150.625000
08:03:40 (44308): 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: 29540663 bytes.
Dumping objects ->
{3835217} normal block at 0x000001EEA42658B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001EEA4265680, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001EEA4265840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x000001EEA4265990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000001EEA4265610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x000001EEA5F3B890, 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) : {3835129} normal block at 0x000001EEA425E670, 8 bytes long.
 Data: <  f&#164;&#238;   > 00 00 66 A4 EE 01 00 00 
{3833963} normal block at 0x000001EEA425E7B0, 8 bytes long.
 Data: <  &#236;&#165;&#238;   > 80 11 EC A5 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001EEA42618F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EEA4256940, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001EEA4266830, 16 bytes long.
 Data: < t&&#164;&#238;           > 88 74 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EEA42666A0, 16 bytes long.
 Data: <`t&&#164;&#238;           > 60 74 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EEA4260920, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001EEA4266290, 16 bytes long.
 Data: <8t&&#164;&#238;           > 38 74 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EEA4266FB0, 16 bytes long.
 Data: < t&&#164;&#238;           > 10 74 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EEA4266F60, 16 bytes long.
 Data: <&#232;s&&#164;&#238;           > E8 73 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EEA4266560, 16 bytes long.
 Data: <&#192;s&&#164;&#238;           > C0 73 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EEA4265450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001EEA42670A0, 16 bytes long.
 Data: <&#232; %&#164;&#238;           > E8 98 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EEA4260A40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001EEA4266B00, 16 bytes long.
 Data: <&#192; %&#164;&#238;           > C0 98 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EEA4266650, 16 bytes long.
 Data: <  %&#164;&#238;           > 98 98 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EEA42666F0, 16 bytes long.
 Data: <p %&#164;&#238;           > 70 98 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EEA42669C0, 16 bytes long.
 Data: <H %&#164;&#238;           > 48 98 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EEA4266380, 16 bytes long.
 Data: <  %&#164;&#238;           > 20 98 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EEA4266BF0, 16 bytes long.
 Data: <&#248;&#151;%&#164;&#238;           > F8 97 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EEA4260080, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001EEA4266EC0, 16 bytes long.
 Data: <&#208;&#151;%&#164;&#238;           > D0 97 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EEA42597D0, 320 bytes long.
 Data: <&#192;n&&#164;&#238;     &&#164;&#238;   > C0 6E 26 A4 EE 01 00 00 80 00 26 A4 EE 01 00 00 
{277} normal block at 0x000001EEA4266DD0, 16 bytes long.
 Data: <&#160;s&&#164;&#238;           > A0 73 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EEA4266B50, 16 bytes long.
 Data: <xs&&#164;&#238;           > 78 73 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EEA4260B60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001EEA4266920, 16 bytes long.
 Data: <Ps&&#164;&#238;           > 50 73 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EEA4260DA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001EEA4266BA0, 16 bytes long.
 Data: < r&&#164;&#238;           > 98 72 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EEA4266790, 16 bytes long.
 Data: <pr&&#164;&#238;           > 70 72 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EEA4266970, 16 bytes long.
 Data: <Hr&&#164;&#238;           > 48 72 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EEA42667E0, 16 bytes long.
 Data: < r&&#164;&#238;           > 20 72 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EEA4266E70, 16 bytes long.
 Data: <&#248;q&&#164;&#238;           > F8 71 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EEA42662E0, 16 bytes long.
 Data: <&#208;q&&#164;&#238;           > D0 71 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EEA4266470, 16 bytes long.
 Data: <&#224;S&&#164;&#238;           > E0 53 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EEA42653E0, 40 bytes long.
 Data: <pd&&#164;&#238;    &#184;&#243;&#165;&#238;   > 70 64 26 A4 EE 01 00 00 90 B8 F3 A5 EE 01 00 00 
{263} normal block at 0x000001EEA4266A60, 16 bytes long.
 Data: <&#176;q&&#164;&#238;           > B0 71 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EEA4266E20, 16 bytes long.
 Data: < q&&#164;&#238;           > 88 71 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EEA4260B00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001EEA4266D80, 16 bytes long.
 Data: <`q&&#164;&#238;           > 60 71 26 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EEA4267160, 992 bytes long.
 Data: < m&&#164;&#238;     &&#164;&#238;   > 80 6D 26 A4 EE 01 00 00 00 0B 26 A4 EE 01 00 00 
{95} normal block at 0x000001EEA4260F20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001EEA425E2B0, 16 bytes long.
 Data: <@&#250;%&#164;&#238;           > 40 FA 25 A4 EE 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001EEA425FA40, 40 bytes long.
 Data: <&#176;&#226;%&#164;&#238;     &&#164;&#238;   > B0 E2 25 A4 EE 01 00 00 20 0F 26 A4 EE 01 00 00 
{72} normal block at 0x000001EEA425DC20, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EEA425E760, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EEA425DD10, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EEA425E260, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EEA425DF90, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EEA425DF40, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EEA425DFE0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EEA425E350, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EEA425DC70, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EEA425DCC0, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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