Task 38673106

Name test_523-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5395_0
Workunit 31615209
Created 26 Oct 2026, 1:29:12 UTC
Sent 26 Oct 2026, 1:29:14 UTC
Report deadline 31 Oct 2026, 1:29:14 UTC
Received 26 Oct 2026, 2:21:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629688
Run time 51 min 39 sec
CPU time 50 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,115.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.95 MB
Peak swap size 9.76 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:30:06 (21964): wrapper (7.9.26016): starting
02:30:06 (21964): 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
02:30:07 (21964): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:30:07 (21964): 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\9\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\9\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
03:21:07 (21964): C:/Windows/system32/cmd.exe exited; CPU time 3016.359375
03:21:07 (21964): 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: 45607007 bytes.
Dumping objects ->
{3835521} normal block at 0x000001BF1316E5F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x000001BF1316D7F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x000001BF114F5B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x000001BF114F5AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x000001BF114F55D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x000001BF131BC530, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000001BF131CF880, 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) : {3835432} normal block at 0x000001BF114F0DD0, 8 bytes long.
 Data: <  &#140; &#191;   > 00 00 8C 11 BF 01 00 00 
{3834686} normal block at 0x000001BF131CF510, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001BF114F01A0, 8 bytes long.
 Data: < R! &#191;   > 10 52 21 13 BF 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BF114F1930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BF114E6910, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001BF114F6280, 16 bytes long.
 Data: <&#184;pO &#191;           > B8 70 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BF114F6190, 16 bytes long.
 Data: < pO &#191;           > 90 70 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BF114EF410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001BF114F6730, 16 bytes long.
 Data: <hpO &#191;           > 68 70 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BF114F6550, 16 bytes long.
 Data: <@pO &#191;           > 40 70 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BF114F60A0, 16 bytes long.
 Data: < pO &#191;           > 18 70 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BF114F6500, 16 bytes long.
 Data: <&#240;oO &#191;           > F0 6F 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BF114F5870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001BF114F5E20, 16 bytes long.
 Data: < &#181;M &#191;           > 98 B5 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BF114EFE30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001BF114F65A0, 16 bytes long.
 Data: <p&#181;M &#191;           > 70 B5 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BF114F6910, 16 bytes long.
 Data: <H&#181;M &#191;           > 48 B5 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BF114F6410, 16 bytes long.
 Data: < &#181;M &#191;           > 20 B5 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BF114F6CD0, 16 bytes long.
 Data: <&#248;&#180;M &#191;           > F8 B4 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BF114F6BE0, 16 bytes long.
 Data: <&#208;&#180;M &#191;           > D0 B4 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BF114F5FB0, 16 bytes long.
 Data: <&#168;&#180;M &#191;           > A8 B4 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BF114EF6B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001BF114F6460, 16 bytes long.
 Data: < &#180;M &#191;           > 80 B4 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BF114DB480, 320 bytes long.
 Data: <`dO &#191;   &#176;&#246;N &#191;   > 60 64 4F 11 BF 01 00 00 B0 F6 4E 11 BF 01 00 00 
{276} normal block at 0x000001BF114F62D0, 16 bytes long.
 Data: <&#208;oO &#191;           > D0 6F 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BF114F6640, 16 bytes long.
 Data: <&#168;oO &#191;           > A8 6F 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BF114EFA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001BF114F6870, 16 bytes long.
 Data: < oO &#191;           > 80 6F 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BF114EF2F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001BF114F64B0, 16 bytes long.
 Data: <&#200;nO &#191;           > C8 6E 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BF114F63C0, 16 bytes long.
 Data: <&#160;nO &#191;           > A0 6E 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BF114F66E0, 16 bytes long.
 Data: <xnO &#191;           > 78 6E 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BF114F5F10, 16 bytes long.
 Data: <PnO &#191;           > 50 6E 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BF114F65F0, 16 bytes long.
 Data: <(nO &#191;           > 28 6E 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BF114F6C80, 16 bytes long.
 Data: < nO &#191;           > 00 6E 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BF114F6B90, 16 bytes long.
 Data: <&#176;VO &#191;           > B0 56 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BF114F56B0, 40 bytes long.
 Data: < kO &#191;   0&#197;  &#191;   > 90 6B 4F 11 BF 01 00 00 30 C5 1B 13 BF 01 00 00 
{262} normal block at 0x000001BF114F61E0, 16 bytes long.
 Data: <&#224;mO &#191;           > E0 6D 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BF114F6AF0, 16 bytes long.
 Data: <&#184;mO &#191;           > B8 6D 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BF114EFDD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001BF114F6320, 16 bytes long.
 Data: < mO &#191;           > 90 6D 4F 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BF114F6D90, 992 bytes long.
 Data: < cO &#191;   &#208;&#253;N &#191;   > 20 63 4F 11 BF 01 00 00 D0 FD 4E 11 BF 01 00 00 
{94} normal block at 0x000001BF114EFD70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001BF114F0A60, 16 bytes long.
 Data: <&#160;&#193;M &#191;           > A0 C1 4D 11 BF 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001BF114DC1A0, 40 bytes long.
 Data: <` O &#191;   p&#253;N &#191;   > 60 0A 4F 11 BF 01 00 00 70 FD 4E 11 BF 01 00 00 
{71} normal block at 0x000001BF114F0100, 16 bytes long.
 Data: < &#234;&#176;;&#247;           > 80 EA B0 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BF114F08D0, 16 bytes long.
 Data: <@&#233;&#176;;&#247;           > 40 E9 B0 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BF114F05B0, 16 bytes long.
 Data: <&#248;W&#173;;&#247;           > F8 57 AD 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BF114F0D30, 16 bytes long.
 Data: <&#216;W&#173;;&#247;           > D8 57 AD 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BF114F0C90, 16 bytes long.
 Data: <P &#173;;&#247;           > 50 04 AD 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BF114F0830, 16 bytes long.
 Data: <0 &#173;;&#247;           > 30 04 AD 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BF114F00B0, 16 bytes long.
 Data: <&#224; &#173;;&#247;           > E0 02 AD 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BF114F0650, 16 bytes long.
 Data: <  &#173;;&#247;           > 10 04 AD 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BF114F0560, 16 bytes long.
 Data: <p &#173;;&#247;           > 70 04 AD 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BF114F0880, 16 bytes long.
 Data: < &#192;&#171;;&#247;           > 18 C0 AB 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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