Task 38679069

Name test_266-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3525_0
Workunit 31620865
Created 26 Oct 2026, 19:22:16 UTC
Sent 26 Oct 2026, 19:22:25 UTC
Report deadline 31 Oct 2026, 19:22:25 UTC
Received 26 Oct 2026, 20:06:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 332854
Run time 36 min 39 sec
CPU time 34 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.16 MB
Peak swap size 2.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:28:41 (11116): wrapper (7.9.26016): starting
16:28:41 (11116): 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
16:28:43 (11116): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:28:43 (11116): 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
17:05:45 (11116): C:/Windows/system32/cmd.exe exited; CPU time 2061.703125
17:05:45 (11116): 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: 38414047 bytes.
Dumping objects ->
{3835203} normal block at 0x00000231982D6620, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x00000231982D6070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x00000231982D6AF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x00000231982D6CB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x00000231982D6BD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x0000023199DABCC0, 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) : {3835115} normal block at 0x00000231982A7F20, 8 bytes long.
 Data: <  &#195; 1   > 00 00 C3 99 31 02 00 00 
{3833949} normal block at 0x00000231982A8470, 8 bytes long.
 Data: < s&#224; 1   > 00 73 E0 99 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000231982B13A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000231982A8C10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x00000231982B2890, 16 bytes long.
 Data: < <+ 1           > 08 3C 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000231982B26B0, 16 bytes long.
 Data: <&#224;;+ 1           > E0 3B 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000231982AE030, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x00000231982B2660, 16 bytes long.
 Data: <&#184;;+ 1           > B8 3B 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000231982B2D90, 16 bytes long.
 Data: < ;+ 1           > 90 3B 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000231982B3470, 16 bytes long.
 Data: <h;+ 1           > 68 3B 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000231982B3420, 16 bytes long.
 Data: <@;+ 1           > 40 3B 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000231982AC600, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x00000231982B2CF0, 16 bytes long.
 Data: <&#248;&#218;* 1           > F8 DA 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000231982ADC10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000231982B3330, 16 bytes long.
 Data: <&#208;&#218;* 1           > D0 DA 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000231982B2E80, 16 bytes long.
 Data: <&#168;&#218;* 1           > A8 DA 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000231982B25C0, 16 bytes long.
 Data: < &#218;* 1           > 80 DA 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000231982B2CA0, 16 bytes long.
 Data: <X&#218;* 1           > 58 DA 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000231982B2570, 16 bytes long.
 Data: <0&#218;* 1           > 30 DA 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000231982B2BB0, 16 bytes long.
 Data: < &#218;* 1           > 08 DA 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000231982AE1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000231982B3240, 16 bytes long.
 Data: <&#224;&#217;* 1           > E0 D9 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000231982AD9E0, 320 bytes long.
 Data: <@2+ 1   &#176;&#225;* 1   > 40 32 2B 98 31 02 00 00 B0 E1 2A 98 31 02 00 00 
{270} normal block at 0x00000231982B30B0, 16 bytes long.
 Data: < ;+ 1           > 20 3B 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000231982B2B10, 16 bytes long.
 Data: <&#248;:+ 1           > F8 3A 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000231982AE870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000231982B2610, 16 bytes long.
 Data: <&#208;:+ 1           > D0 3A 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000231982AE390, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000231982B2ED0, 16 bytes long.
 Data: < :+ 1           > 18 3A 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000231982B2840, 16 bytes long.
 Data: <&#240;9+ 1           > F0 39 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000231982B31A0, 16 bytes long.
 Data: <&#200;9+ 1           > C8 39 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000231982B2C00, 16 bytes long.
 Data: <&#160;9+ 1           > A0 39 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000231982B27F0, 16 bytes long.
 Data: <x9+ 1           > 78 39 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000231982B2FC0, 16 bytes long.
 Data: <P9+ 1           > 50 39 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000231982B32E0, 16 bytes long.
 Data: <P&#199;* 1           > 50 C7 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000231982AC750, 40 bytes long.
 Data: <&#224;2+ 1   &#192;&#188;&#218; 1   > E0 32 2B 98 31 02 00 00 C0 BC DA 99 31 02 00 00 
{256} normal block at 0x00000231982B2A20, 16 bytes long.
 Data: <09+ 1           > 30 39 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000231982B3290, 16 bytes long.
 Data: < 9+ 1           > 08 39 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000231982AE810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x00000231982B3150, 16 bytes long.
 Data: <&#224;8+ 1           > E0 38 2B 98 31 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000231982B38E0, 992 bytes long.
 Data: <P1+ 1    &#232;* 1   > 50 31 2B 98 31 02 00 00 10 E8 2A 98 31 02 00 00 
{88} normal block at 0x00000231982AE5D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000231982A81F0, 16 bytes long.
 Data: <0&#200;* 1           > 30 C8 2A 98 31 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000231982AC830, 40 bytes long.
 Data: <&#240; * 1   &#208;&#229;* 1   > F0 81 2A 98 31 02 00 00 D0 E5 2A 98 31 02 00 00 
{65} normal block at 0x00000231982A7980, 16 bytes long.
 Data: < &#234;&#163;,&#247;           > 80 EA A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000231982A77F0, 16 bytes long.
 Data: <@&#233;&#163;,&#247;           > 40 E9 A3 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000231982A7C50, 16 bytes long.
 Data: <&#248;W&#160;,&#247;           > F8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000231982A7B60, 16 bytes long.
 Data: <&#216;W&#160;,&#247;           > D8 57 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000231982A7930, 16 bytes long.
 Data: <P &#160;,&#247;           > 50 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000231982A7ED0, 16 bytes long.
 Data: <0 &#160;,&#247;           > 30 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000231982A85B0, 16 bytes long.
 Data: <&#224; &#160;,&#247;           > E0 02 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000231982A8420, 16 bytes long.
 Data: <  &#160;,&#247;           > 10 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000231982A7C00, 16 bytes long.
 Data: <p &#160;,&#247;           > 70 04 A0 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000231982A7840, 16 bytes long.
 Data: < &#192;&#158;,&#247;           > 18 C0 9E 2C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra