Task 38677735

Name test_688-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND5708_0
Workunit 31619592
Created 26 Oct 2026, 15:15:14 UTC
Sent 26 Oct 2026, 15:15:17 UTC
Report deadline 31 Oct 2026, 15:15:17 UTC
Received 26 Oct 2026, 17:41:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654843
Run time 48 min 37 sec
CPU time 40 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.11 MB
Peak swap size 1.57 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:53:38 (7608): wrapper (7.9.26016): starting
18:53:38 (7608): 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
18:53:40 (7608): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:40 (7608): 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\1\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\1\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
19:39:40 (7608): C:/Windows/system32/cmd.exe exited; CPU time 2414.453125
19:39:40 (7608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 29724027 bytes.
Dumping objects ->
{3835229} normal block at 0x000001309C441F70, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001309C442980, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x000001309C442C20, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835196} normal block at 0x000001309C4423D0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x000001309C442AD0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835154} normal block at 0x000001309C4EB7C0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835143} normal block at 0x000001309AA2D630, 160 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) : {3835140} normal block at 0x000001309A946A40, 8 bytes long.
 Data: <  -&#156;0   > 00 00 2D 9C 30 01 00 00 
{3834539} normal block at 0x000001309AA2DFD0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001309A946860, 8 bytes long.
 Data: <&#224;-D&#156;0   > E0 2D 44 9C 30 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001309A94F810, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001309A93A0D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001309A951020, 16 bytes long.
 Data: < -&#149;&#154;0           > 18 2D 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001309A9507B0, 16 bytes long.
 Data: <&#240;,&#149;&#154;0           > F0 2C 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001309A94BF00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001309A950D00, 16 bytes long.
 Data: <&#200;,&#149;&#154;0           > C8 2C 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001309A950760, 16 bytes long.
 Data: <&#160;,&#149;&#154;0           > A0 2C 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001309A950710, 16 bytes long.
 Data: <x,&#149;&#154;0           > 78 2C 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001309A951340, 16 bytes long.
 Data: <P,&#149;&#154;0           > 50 2C 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001309A94ACB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001309A950670, 16 bytes long.
 Data: <8Z&#147;&#154;0           > 38 5A 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001309A94C4A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001309A951250, 16 bytes long.
 Data: < Z&#147;&#154;0           > 10 5A 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001309A950850, 16 bytes long.
 Data: <&#232;Y&#147;&#154;0           > E8 59 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001309A951160, 16 bytes long.
 Data: <&#192;Y&#147;&#154;0           > C0 59 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001309A9509E0, 16 bytes long.
 Data: < Y&#147;&#154;0           > 98 59 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001309A9506C0, 16 bytes long.
 Data: <pY&#147;&#154;0           > 70 59 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001309A951480, 16 bytes long.
 Data: <HY&#147;&#154;0           > 48 59 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001309A94C440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001309A9512A0, 16 bytes long.
 Data: < Y&#147;&#154;0           > 20 59 93 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001309A935920, 320 bytes long.
 Data: <&#160; &#149;&#154;0   @&#196;&#148;&#154;0   > A0 12 95 9A 30 01 00 00 40 C4 94 9A 30 01 00 00 
{268} normal block at 0x000001309A950EE0, 16 bytes long.
 Data: <0,&#149;&#154;0           > 30 2C 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001309A9514D0, 16 bytes long.
 Data: < ,&#149;&#154;0           > 08 2C 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001309A94C2C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001309A950CB0, 16 bytes long.
 Data: <&#224;+&#149;&#154;0           > E0 2B 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001309A94C200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001309A950C60, 16 bytes long.
 Data: <(+&#149;&#154;0           > 28 2B 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001309A950990, 16 bytes long.
 Data: < +&#149;&#154;0           > 00 2B 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001309A951200, 16 bytes long.
 Data: <&#216;*&#149;&#154;0           > D8 2A 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001309A9511B0, 16 bytes long.
 Data: <&#176;*&#149;&#154;0           > B0 2A 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001309A951430, 16 bytes long.
 Data: < *&#149;&#154;0           > 88 2A 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001309A950B70, 16 bytes long.
 Data: <`*&#149;&#154;0           > 60 2A 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001309A950E90, 16 bytes long.
 Data: <&#208;&#171;&#148;&#154;0           > D0 AB 94 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001309A94ABD0, 40 bytes long.
 Data: <  &#149;&#154;0   &#192;&#183;N&#156;0   > 90 0E 95 9A 30 01 00 00 C0 B7 4E 9C 30 01 00 00 
{254} normal block at 0x000001309A951520, 16 bytes long.
 Data: <@*&#149;&#154;0           > 40 2A 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001309A9510C0, 16 bytes long.
 Data: < *&#149;&#154;0           > 18 2A 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001309A94C080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001309A950DA0, 16 bytes long.
 Data: <&#240;)&#149;&#154;0           > F0 29 95 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001309A9529F0, 992 bytes long.
 Data: <&#160; &#149;&#154;0    &#192;&#148;&#154;0   > A0 0D 95 9A 30 01 00 00 80 C0 94 9A 30 01 00 00 
{86} normal block at 0x000001309A94C860, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001309A946810, 16 bytes long.
 Data: < &#173;&#148;&#154;0           > 20 AD 94 9A 30 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001309A94AD20, 40 bytes long.
 Data: < h&#148;&#154;0   `&#200;&#148;&#154;0   > 10 68 94 9A 30 01 00 00 60 C8 94 9A 30 01 00 00 
{63} normal block at 0x000001309A946630, 16 bytes long.
 Data: < &#234;&#137;&#239;&#247;           > 80 EA 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001309A945F50, 16 bytes long.
 Data: <@&#233;&#137;&#239;&#247;           > 40 E9 89 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001309A946B30, 16 bytes long.
 Data: <&#248;W&#134;&#239;&#247;           > F8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001309A9466D0, 16 bytes long.
 Data: <&#216;W&#134;&#239;&#247;           > D8 57 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001309A9467C0, 16 bytes long.
 Data: <P &#134;&#239;&#247;           > 50 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001309A9464A0, 16 bytes long.
 Data: <0 &#134;&#239;&#247;           > 30 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001309A946540, 16 bytes long.
 Data: <&#224; &#134;&#239;&#247;           > E0 02 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001309A946590, 16 bytes long.
 Data: <  &#134;&#239;&#247;           > 10 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001309A946B80, 16 bytes long.
 Data: <p &#134;&#239;&#247;           > 70 04 86 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001309A9469F0, 16 bytes long.
 Data: < &#192;&#132;&#239;&#247;           > 18 C0 84 EF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra