Task 38688309

Name test_195-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7941_0
Workunit 31629665
Created 28 Oct 2026, 13:04:44 UTC
Sent 28 Oct 2026, 13:04:51 UTC
Report deadline 2 Nov 2026, 13:04:51 UTC
Received 28 Oct 2026, 13:48:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 42 min 30 sec
CPU time 41 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.88 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:06:39 (34104): wrapper (7.9.26016): starting
14:06:39 (34104): 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
14:06:41 (34104): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:06:41 (34104): 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 'D:\ProgramData\BOINC\slots\12\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 'D:\ProgramData\BOINC\slots\12\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
14:47:46 (34104): C:/Windows/system32/cmd.exe exited; CPU time 2473.921875
14:47:46 (34104): 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: 45088791 bytes.
Dumping objects ->
{3835207} normal block at 0x0000027B96234700, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000027B96234C40, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000027B96234A80, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x0000027B962349A0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000027B96234850, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x0000027B97FE9AA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x0000027B97FFE550, 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) : {3835118} normal block at 0x0000027B9622EB20, 8 bytes long.
 Data: <   &#150;{   > 00 00 1E 96 7B 02 00 00 
{3834522} normal block at 0x0000027B97FFE3F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000027B9622E940, 8 bytes long.
 Data: <&#176;&#214;!&#150;{   > B0 D6 21 96 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000027B96230050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027B96225680, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000027B96235330, 16 bytes long.
 Data: < a#&#150;{           > 18 61 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027B96235880, 16 bytes long.
 Data: <&#240;`#&#150;{           > F0 60 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027B9622FA00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000027B96235240, 16 bytes long.
 Data: <&#200;`#&#150;{           > C8 60 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027B96235BF0, 16 bytes long.
 Data: <&#160;`#&#150;{           > A0 60 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027B96235920, 16 bytes long.
 Data: <x`#&#150;{           > 78 60 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027B96235790, 16 bytes long.
 Data: <P`#&#150;{           > 50 60 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027B96234AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000027B96235AB0, 16 bytes long.
 Data: <&#200;&#253;!&#150;{           > C8 FD 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027B9622F640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000027B96235150, 16 bytes long.
 Data: <&#160;&#253;!&#150;{           > A0 FD 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027B96234E80, 16 bytes long.
 Data: <x&#253;!&#150;{           > 78 FD 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027B962353D0, 16 bytes long.
 Data: <P&#253;!&#150;{           > 50 FD 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027B962350B0, 16 bytes long.
 Data: <(&#253;!&#150;{           > 28 FD 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027B96235A60, 16 bytes long.
 Data: < &#253;!&#150;{           > 00 FD 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027B96235B00, 16 bytes long.
 Data: <&#216;&#252;!&#150;{           > D8 FC 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027B9622F5E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000027B96234F70, 16 bytes long.
 Data: <&#176;&#252;!&#150;{           > B0 FC 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027B9621FCB0, 320 bytes long.
 Data: <pO#&#150;{   &#224;&#245;"&#150;{   > 70 4F 23 96 7B 02 00 00 E0 F5 22 96 7B 02 00 00 
{269} normal block at 0x0000027B96235290, 16 bytes long.
 Data: <0`#&#150;{           > 30 60 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027B96235A10, 16 bytes long.
 Data: < `#&#150;{           > 08 60 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027B9622F400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000027B96234E30, 16 bytes long.
 Data: <&#224;_#&#150;{           > E0 5F 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027B9622FDC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000027B96235650, 16 bytes long.
 Data: <(_#&#150;{           > 28 5F 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027B962359C0, 16 bytes long.
 Data: < _#&#150;{           > 00 5F 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027B96235010, 16 bytes long.
 Data: <&#216;^#&#150;{           > D8 5E 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027B962355B0, 16 bytes long.
 Data: <&#176;^#&#150;{           > B0 5E 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027B962356A0, 16 bytes long.
 Data: < ^#&#150;{           > 88 5E 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027B962357E0, 16 bytes long.
 Data: <`^#&#150;{           > 60 5E 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027B96235600, 16 bytes long.
 Data: <pG#&#150;{           > 70 47 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027B96234770, 40 bytes long.
 Data: < V#&#150;{   &#160;&#154;&#254;&#151;{   > 00 56 23 96 7B 02 00 00 A0 9A FE 97 7B 02 00 00 
{255} normal block at 0x0000027B962352E0, 16 bytes long.
 Data: <@^#&#150;{           > 40 5E 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000027B96234F20, 16 bytes long.
 Data: < ^#&#150;{           > 18 5E 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027B9622F3A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000027B96235C40, 16 bytes long.
 Data: <&#240;]#&#150;{           > F0 5D 23 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000027B96235DF0, 992 bytes long.
 Data: <@\#&#150;{   &#160;&#243;"&#150;{   > 40 5C 23 96 7B 02 00 00 A0 F3 22 96 7B 02 00 00 
{87} normal block at 0x0000027B9622F700, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000027B9622EAD0, 16 bytes long.
 Data: < &#198;!&#150;{           > 20 C6 21 96 7B 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000027B9621C620, 40 bytes long.
 Data: <&#208;&#234;"&#150;{    &#247;"&#150;{   > D0 EA 22 96 7B 02 00 00 00 F7 22 96 7B 02 00 00 
{64} normal block at 0x0000027B9622E0D0, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027B9622E6C0, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027B9622EDF0, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027B9622EDA0, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027B9622E670, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027B9622E210, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027B9622E530, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027B9622EA80, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027B9622E120, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000027B9622E3F0, 16 bytes long.
 Data: < &#192;i9&#247;           > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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