Task 38688764

Name test_661-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND9669_0
Workunit 31630086
Created 28 Oct 2026, 16:01:53 UTC
Sent 28 Oct 2026, 16:01:55 UTC
Report deadline 2 Nov 2026, 16:01:55 UTC
Received 28 Oct 2026, 16:29:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 56 sec
CPU time 26 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.46 MB
Peak swap size 6.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
12:02:59 (26032): wrapper (7.9.26016): starting
12:02:59 (26032): 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
12:03:00 (26032): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:03:00 (26032): 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
12:29:02 (26032): C:/Windows/system32/cmd.exe exited; CPU time 1563.968750
12:29:02 (26032): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 27940013 bytes.
Dumping objects ->
{3835542} normal block at 0x0000027B462D67A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000027B462D6500, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x0000027B462D61F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x0000027B462D68F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x0000027B462D63B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x0000027B47F994F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000027B47FAF260, 102 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) : {3835453} normal block at 0x0000027B462CD2E0, 8 bytes long.
 Data: <  &#139;F{   > 00 00 8B 46 7B 02 00 00 
{3834690} normal block at 0x0000027B47FAF050, 102 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 0x0000027B462CD1A0, 8 bytes long.
 Data: <0&#224;&#250;G{   > 30 E0 FA 47 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027B462D1A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027B462C6340, 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 0x0000027B462D53B0, 16 bytes long.
 Data: <&#168;`-F{           > A8 60 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027B462D55E0, 16 bytes long.
 Data: < `-F{           > 80 60 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027B462CF2D0, 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 0x0000027B462D59A0, 16 bytes long.
 Data: <X`-F{           > 58 60 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027B462D5040, 16 bytes long.
 Data: <0`-F{           > 30 60 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027B462D5540, 16 bytes long.
 Data: < `-F{           > 08 60 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027B462D5950, 16 bytes long.
 Data: <&#224;_-F{           > E0 5F 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027B462D6260, 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 0x0000027B462D5A40, 16 bytes long.
 Data: <  ,F{           > 08 8F 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027B462CF450, 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 0x0000027B462D5360, 16 bytes long.
 Data: <&#224;&#142;,F{           > E0 8E 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027B462D5180, 16 bytes long.
 Data: <&#184;&#142;,F{           > B8 8E 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027B462D4DC0, 16 bytes long.
 Data: < &#142;,F{           > 90 8E 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027B462D57C0, 16 bytes long.
 Data: <h&#142;,F{           > 68 8E 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027B462D58B0, 16 bytes long.
 Data: <@&#142;,F{           > 40 8E 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027B462D5900, 16 bytes long.
 Data: < &#142;,F{           > 18 8E 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027B462CFED0, 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 0x0000027B462D5220, 16 bytes long.
 Data: <&#240; ,F{           > F0 8D 2C 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027B462C8DF0, 320 bytes long.
 Data: < R-F{   &#208;&#254;,F{   > 20 52 2D 46 7B 02 00 00 D0 FE 2C 46 7B 02 00 00 
{275} normal block at 0x0000027B462D5B30, 16 bytes long.
 Data: <&#192;_-F{           > C0 5F 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027B462D5400, 16 bytes long.
 Data: < _-F{           > 98 5F 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027B462CFE10, 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 0x0000027B462D5130, 16 bytes long.
 Data: <p_-F{           > 70 5F 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027B462CF1B0, 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 0x0000027B462D5770, 16 bytes long.
 Data: <&#184;^-F{           > B8 5E 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027B462D5D10, 16 bytes long.
 Data: < ^-F{           > 90 5E 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027B462D5AE0, 16 bytes long.
 Data: <h^-F{           > 68 5E 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027B462D5860, 16 bytes long.
 Data: <@^-F{           > 40 5E 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027B462D5810, 16 bytes long.
 Data: < ^-F{           > 18 5E 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027B462D52C0, 16 bytes long.
 Data: <&#240;]-F{           > F0 5D 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027B462D5720, 16 bytes long.
 Data: < &#228;+F{           > 90 E4 2B 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027B462BE490, 40 bytes long.
 Data: < W-F{   &#240;&#148;&#249;G{   > 20 57 2D 46 7B 02 00 00 F0 94 F9 47 7B 02 00 00 
{261} normal block at 0x0000027B462D54F0, 16 bytes long.
 Data: <&#208;]-F{           > D0 5D 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027B462D5680, 16 bytes long.
 Data: <&#168;]-F{           > A8 5D 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027B462CFDB0, 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 0x0000027B462D5A90, 16 bytes long.
 Data: < ]-F{           > 80 5D 2D 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027B462D5D80, 992 bytes long.
 Data: < Z-F{   &#176;&#253;,F{   > 90 5A 2D 46 7B 02 00 00 B0 FD 2C 46 7B 02 00 00 
{93} normal block at 0x0000027B462CFD50, 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 0x0000027B462CDCE0, 16 bytes long.
 Data: <&#160;&#221;+F{           > A0 DD 2B 46 7B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000027B462BDDA0, 40 bytes long.
 Data: <&#224;&#220;,F{   P&#253;,F{   > E0 DC 2C 46 7B 02 00 00 50 FD 2C 46 7B 02 00 00 
{70} normal block at 0x0000027B462CD970, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027B462CD0B0, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027B462CD6F0, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027B462CD1F0, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027B462CD060, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027B462CDC90, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027B462CDAB0, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027B462CDBF0, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027B462CD790, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027B462CD560, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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