Task 38656797

Name test_684-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND1343_0
Workunit 31600500
Created 24 Oct 2026, 11:01:07 UTC
Sent 24 Oct 2026, 11:03:07 UTC
Report deadline 29 Oct 2026, 11:03:07 UTC
Received 24 Oct 2026, 12:57:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654477
Run time 38 min 58 sec
CPU time 36 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.68 MB
Peak swap size 6.75 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:18:39 (12824): wrapper (7.9.26016): starting
14:18:39 (12824): 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
14:18:41 (12824): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:18:41 (12824): 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\8\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\8\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
14:55:58 (12824): C:/Windows/system32/cmd.exe exited; CPU time 2192.562500
14:55:58 (12824): 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: 45957591 bytes.
Dumping objects ->
{3835270} normal block at 0x00000239EF2B3BD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000239EF2B3FC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000239ED564F70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000239ED564F00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000239ED564DB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x00000239EF256EA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000239EF26EBE0, 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) : {3835181} normal block at 0x00000239ED55F730, 8 bytes long.
 Data: <  &#158;&#237;9   > 00 00 9E ED 39 02 00 00 
{3834562} normal block at 0x00000239EF26EB30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000239ED55EA60, 8 bytes long.
 Data: <&#176;&#227; &#239;9   > B0 E3 16 EF 39 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000239ED560A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000239ED5569E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000239ED5663C0, 16 bytes long.
 Data: <HhV&#237;9           > 48 68 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000239ED565E20, 16 bytes long.
 Data: < hV&#237;9           > 20 68 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000239ED5603E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000239ED565970, 16 bytes long.
 Data: <&#248;gV&#237;9           > F8 67 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000239ED5659C0, 16 bytes long.
 Data: <&#208;gV&#237;9           > D0 67 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000239ED565880, 16 bytes long.
 Data: <&#168;gV&#237;9           > A8 67 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000239ED565B50, 16 bytes long.
 Data: < gV&#237;9           > 80 67 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000239ED564B10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000239ED5655B0, 16 bytes long.
 Data: <&#232;&#231;U&#237;9           > E8 E7 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000239ED560200, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000239ED566050, 16 bytes long.
 Data: <&#192;&#231;U&#237;9           > C0 E7 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000239ED566320, 16 bytes long.
 Data: < &#231;U&#237;9           > 98 E7 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000239ED566460, 16 bytes long.
 Data: <p&#231;U&#237;9           > 70 E7 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000239ED565830, 16 bytes long.
 Data: <H&#231;U&#237;9           > 48 E7 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000239ED566190, 16 bytes long.
 Data: < &#231;U&#237;9           > 20 E7 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000239ED565920, 16 bytes long.
 Data: <&#248;&#230;U&#237;9           > F8 E6 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000239ED55FC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000239ED565A10, 16 bytes long.
 Data: <&#208;&#230;U&#237;9           > D0 E6 55 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000239ED55E6D0, 320 bytes long.
 Data: < ZV&#237;9    &#252;U&#237;9   > 10 5A 56 ED 39 02 00 00 00 FC 55 ED 39 02 00 00 
{274} normal block at 0x00000239ED565D80, 16 bytes long.
 Data: <`gV&#237;9           > 60 67 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000239ED5662D0, 16 bytes long.
 Data: <8gV&#237;9           > 38 67 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000239ED5604A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000239ED565740, 16 bytes long.
 Data: < gV&#237;9           > 10 67 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000239ED55FCC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000239ED565DD0, 16 bytes long.
 Data: <XfV&#237;9           > 58 66 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000239ED566140, 16 bytes long.
 Data: <0fV&#237;9           > 30 66 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000239ED565790, 16 bytes long.
 Data: < fV&#237;9           > 08 66 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000239ED566370, 16 bytes long.
 Data: <&#224;eV&#237;9           > E0 65 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000239ED5657E0, 16 bytes long.
 Data: <&#184;eV&#237;9           > B8 65 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000239ED566000, 16 bytes long.
 Data: < eV&#237;9           > 90 65 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000239ED565FB0, 16 bytes long.
 Data: <&#224;OV&#237;9           > E0 4F 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000239ED564FE0, 40 bytes long.
 Data: <&#176;_V&#237;9   &#160;n%&#239;9   > B0 5F 56 ED 39 02 00 00 A0 6E 25 EF 39 02 00 00 
{260} normal block at 0x00000239ED566280, 16 bytes long.
 Data: <peV&#237;9           > 70 65 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000239ED5660A0, 16 bytes long.
 Data: <HeV&#237;9           > 48 65 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000239ED560320, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000239ED565650, 16 bytes long.
 Data: < eV&#237;9           > 20 65 56 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000239ED566520, 992 bytes long.
 Data: <PVV&#237;9     V&#237;9   > 50 56 56 ED 39 02 00 00 20 03 56 ED 39 02 00 00 
{92} normal block at 0x00000239ED55FD80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000239ED55EA10, 16 bytes long.
 Data: <&#240;&#229;T&#237;9           > F0 E5 54 ED 39 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000239ED54E5F0, 40 bytes long.
 Data: < &#234;U&#237;9    &#253;U&#237;9   > 10 EA 55 ED 39 02 00 00 80 FD 55 ED 39 02 00 00 
{69} normal block at 0x00000239ED55F320, 16 bytes long.
 Data: < &#234;k!&#246;           > 80 EA 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000239ED55ED80, 16 bytes long.
 Data: <@&#233;k!&#246;           > 40 E9 6B 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000239ED55F690, 16 bytes long.
 Data: <&#248;Wh!&#246;           > F8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000239ED55EFB0, 16 bytes long.
 Data: <&#216;Wh!&#246;           > D8 57 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000239ED55F550, 16 bytes long.
 Data: <P h!&#246;           > 50 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000239ED55F640, 16 bytes long.
 Data: <0 h!&#246;           > 30 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000239ED55F960, 16 bytes long.
 Data: <&#224; h!&#246;           > E0 02 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000239ED55EBA0, 16 bytes long.
 Data: <  h!&#246;           > 10 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000239ED55F910, 16 bytes long.
 Data: <p h!&#246;           > 70 04 68 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000239ED55F780, 16 bytes long.
 Data: < &#192;f!&#246;           > 18 C0 66 21 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra