Task 38670085

Name test_199-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4382_0
Workunit 31612361
Created 25 Oct 2026, 16:26:53 UTC
Sent 25 Oct 2026, 16:26:59 UTC
Report deadline 30 Oct 2026, 16:26:59 UTC
Received 25 Oct 2026, 17:06:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 35 sec
CPU time 19 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.79 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:47:46 (22348): wrapper (7.9.26016): starting
12:47:46 (22348): 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
12:47:47 (22348): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:47:47 (22348): 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
13:06:40 (22348): C:/Windows/system32/cmd.exe exited; CPU time 1161.281250
13:06:40 (22348): 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: 16134981 bytes.
Dumping objects ->
{3835562} normal block at 0x0000025BF7FEB870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x0000025BF7FEB1E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000025BF7FEBA30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x0000025BF7FEAD80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x0000025BF7FEB8E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x0000025BF7FEA4C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x0000025BF9CAE250, 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) : {3835473} normal block at 0x0000025BF7FBF8D0, 8 bytes long.
 Data: <  T&#248;[   > 00 00 54 F8 5B 02 00 00 
{3834695} normal block at 0x0000025BF9CAF0C0, 102 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 0x0000025BF7FBF740, 8 bytes long.
 Data: <&#208;H&#207;&#249;[   > D0 48 CF F9 5B 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025BF7FC0EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025BF7FB6470, 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 0x0000025BF7FC60C0, 16 bytes long.
 Data: <&#168;W&#252;&#247;[           > A8 57 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025BF7FC6840, 16 bytes long.
 Data: < W&#252;&#247;[           > 80 57 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025BF7FBFC30, 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 0x0000025BF7FC5A80, 16 bytes long.
 Data: <XW&#252;&#247;[           > 58 57 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025BF7FC6430, 16 bytes long.
 Data: <0W&#252;&#247;[           > 30 57 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025BF7FC5B20, 16 bytes long.
 Data: < W&#252;&#247;[           > 08 57 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025BF7FC65C0, 16 bytes long.
 Data: <&#224;V&#252;&#247;[           > E0 56 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025BF7FC3EA0, 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 0x0000025BF7FC6480, 16 bytes long.
 Data: <&#232;&#182;&#250;&#247;[           > E8 B6 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025BF7FBFBD0, 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 0x0000025BF7FC6570, 16 bytes long.
 Data: <&#192;&#182;&#250;&#247;[           > C0 B6 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025BF7FC5DF0, 16 bytes long.
 Data: < &#182;&#250;&#247;[           > 98 B6 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025BF7FC67F0, 16 bytes long.
 Data: <p&#182;&#250;&#247;[           > 70 B6 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025BF7FC6520, 16 bytes long.
 Data: <H&#182;&#250;&#247;[           > 48 B6 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025BF7FC6750, 16 bytes long.
 Data: < &#182;&#250;&#247;[           > 20 B6 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025BF7FC5A30, 16 bytes long.
 Data: <&#248;&#181;&#250;&#247;[           > F8 B5 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025BF7FBFB10, 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 0x0000025BF7FC5FD0, 16 bytes long.
 Data: <&#208;&#181;&#250;&#247;[           > D0 B5 FA F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025BF7FAB5D0, 320 bytes long.
 Data: <&#208;_&#252;&#247;[    &#251;&#251;&#247;[   > D0 5F FC F7 5B 02 00 00 10 FB FB F7 5B 02 00 00 
{279} normal block at 0x0000025BF7FC6200, 16 bytes long.
 Data: <&#192;V&#252;&#247;[           > C0 56 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025BF7FC61B0, 16 bytes long.
 Data: < V&#252;&#247;[           > 98 56 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025BF7FC0050, 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 0x0000025BF7FC64D0, 16 bytes long.
 Data: <pV&#252;&#247;[           > 70 56 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025BF7FBFDB0, 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 0x0000025BF7FC6340, 16 bytes long.
 Data: <&#184;U&#252;&#247;[           > B8 55 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025BF7FC5D50, 16 bytes long.
 Data: < U&#252;&#247;[           > 90 55 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025BF7FC6390, 16 bytes long.
 Data: <hU&#252;&#247;[           > 68 55 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025BF7FC59E0, 16 bytes long.
 Data: <@U&#252;&#247;[           > 40 55 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025BF7FC6250, 16 bytes long.
 Data: < U&#252;&#247;[           > 18 55 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025BF7FBEDE0, 16 bytes long.
 Data: <&#240;T&#252;&#247;[           > F0 54 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025BF7FBEE30, 16 bytes long.
 Data: < ?&#252;&#247;[           > 80 3F FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025BF7FC3F80, 40 bytes long.
 Data: <0&#238;&#251;&#247;[   &#192;&#164;&#254;&#247;[   > 30 EE FB F7 5B 02 00 00 C0 A4 FE F7 5B 02 00 00 
{265} normal block at 0x0000025BF7FBED40, 16 bytes long.
 Data: <&#208;T&#252;&#247;[           > D0 54 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025BF7FBEC00, 16 bytes long.
 Data: <&#168;T&#252;&#247;[           > A8 54 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025BF7FBFFF0, 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 0x0000025BF7FBEBB0, 16 bytes long.
 Data: < T&#252;&#247;[           > 80 54 FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025BF7FC5480, 992 bytes long.
 Data: <&#176;&#235;&#251;&#247;[   &#240;&#255;&#251;&#247;[   > B0 EB FB F7 5B 02 00 00 F0 FF FB F7 5B 02 00 00 
{97} normal block at 0x0000025BF7FBF990, 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 0x0000025BF7FBF880, 16 bytes long.
 Data: <@:&#252;&#247;[           > 40 3A FC F7 5B 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025BF7FC3A40, 40 bytes long.
 Data: < &#248;&#251;&#247;[    &#249;&#251;&#247;[   > 80 F8 FB F7 5B 02 00 00 90 F9 FB F7 5B 02 00 00 
{74} normal block at 0x0000025BF7FBEC50, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025BF7FBF650, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025BF7FBED90, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025BF7FBF1F0, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025BF7FBE9D0, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025BF7FBF7E0, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025BF7FBF380, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025BF7FBF1A0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025BF7FBF6F0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025BF7FBF150, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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