Task 38682479

Name test_295-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6850_0
Workunit 31624088
Created 27 Oct 2026, 7:54:23 UTC
Sent 27 Oct 2026, 7:54:32 UTC
Report deadline 1 Nov 2026, 7:54:32 UTC
Received 27 Oct 2026, 8:46:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627263
Run time 41 min 30 sec
CPU time 30 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,102.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 4.04 GB
Peak swap size 6.99 GB
Peak disk usage 4.12 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:06:48 (33952): wrapper (7.9.26016): starting
04:06:48 (33952): 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
04:06:49 (33952): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:06:49 (33952): 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\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 'D:\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
04:46:04 (33952): C:/Windows/system32/cmd.exe exited; CPU time 1835.437500
04:46:04 (33952): 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: 51593507 bytes.
Dumping objects ->
{3835205} normal block at 0x00000211DA34DBD0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000211DA34DC40, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000211DA34D0E0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x00000211DA34DD90, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000211DA34D1C0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x00000211DBFABD30, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x00000211DA3219F0, 8 bytes long.
 Data: <  /&#218;    > 00 00 2F DA 11 02 00 00 
{3833959} normal block at 0x00000211DA321680, 8 bytes long.
 Data: < &#231;0&#218;    > 20 E7 30 DA 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000211DA31CA90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000211DA315E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000211DA32A0B0, 16 bytes long.
 Data: <X&#173;2&#218;            > 58 AD 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000211DA32A830, 16 bytes long.
 Data: <0&#173;2&#218;            > 30 AD 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000211DA323770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000211DA32A3D0, 16 bytes long.
 Data: < &#173;2&#218;            > 08 AD 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000211DA32A7E0, 16 bytes long.
 Data: <&#224;&#172;2&#218;            > E0 AC 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000211DA329CA0, 16 bytes long.
 Data: <&#184;&#172;2&#218;            > B8 AC 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000211DA32A790, 16 bytes long.
 Data: < &#172;2&#218;            > 90 AC 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000211DA325930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000211DA32A330, 16 bytes long.
 Data: < I1&#218;            > 18 49 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000211DA323BF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000211DA32A060, 16 bytes long.
 Data: <&#240;H1&#218;            > F0 48 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000211DA32A970, 16 bytes long.
 Data: <&#200;H1&#218;            > C8 48 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000211DA329B60, 16 bytes long.
 Data: <&#160;H1&#218;            > A0 48 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000211DA32A240, 16 bytes long.
 Data: <xH1&#218;            > 78 48 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000211DA329E80, 16 bytes long.
 Data: <PH1&#218;            > 50 48 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000211DA32A100, 16 bytes long.
 Data: <(H1&#218;            > 28 48 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000211DA323590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000211DA32A510, 16 bytes long.
 Data: < H1&#218;            > 00 48 31 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000211DA314800, 320 bytes long.
 Data: < &#165;2&#218;     52&#218;    > 10 A5 32 DA 11 02 00 00 90 35 32 DA 11 02 00 00 
{275} normal block at 0x00000211DA32A380, 16 bytes long.
 Data: <p&#172;2&#218;            > 70 AC 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000211DA329C00, 16 bytes long.
 Data: <H&#172;2&#218;            > 48 AC 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000211DA323B30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000211DA329D90, 16 bytes long.
 Data: < &#172;2&#218;            > 20 AC 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000211DA323950, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000211DA329AC0, 16 bytes long.
 Data: <h&#171;2&#218;            > 68 AB 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000211DA329E30, 16 bytes long.
 Data: <@&#171;2&#218;            > 40 AB 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000211DA32A2E0, 16 bytes long.
 Data: < &#171;2&#218;            > 18 AB 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000211DA32A5B0, 16 bytes long.
 Data: <&#240;&#170;2&#218;            > F0 AA 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000211DA32A1F0, 16 bytes long.
 Data: <&#200;&#170;2&#218;            > C8 AA 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000211DA329DE0, 16 bytes long.
 Data: <&#160;&#170;2&#218;            > A0 AA 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000211DA32A740, 16 bytes long.
 Data: <`T2&#218;            > 60 54 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000211DA325460, 40 bytes long.
 Data: <@&#167;2&#218;    0&#189;&#250;&#219;    > 40 A7 32 DA 11 02 00 00 30 BD FA DB 11 02 00 00 
{261} normal block at 0x00000211DA32A290, 16 bytes long.
 Data: < &#170;2&#218;            > 80 AA 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000211DA32A1A0, 16 bytes long.
 Data: <X&#170;2&#218;            > 58 AA 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000211DA3241F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000211DA32A560, 16 bytes long.
 Data: <0&#170;2&#218;            > 30 AA 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000211DA32AA30, 992 bytes long.
 Data: <`&#165;2&#218;    &#240;A2&#218;    > 60 A5 32 DA 11 02 00 00 F0 41 32 DA 11 02 00 00 
{93} normal block at 0x00000211DA323F50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000211DA322260, 16 bytes long.
 Data: <&#208;T2&#218;            > D0 54 32 DA 11 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000211DA3254D0, 40 bytes long.
 Data: <`"2&#218;    P?2&#218;    > 60 22 32 DA 11 02 00 00 50 3F 32 DA 11 02 00 00 
{70} normal block at 0x00000211DA3220D0, 16 bytes long.
 Data: < &#234;&#132;{&#246;           > 80 EA 84 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000211DA322210, 16 bytes long.
 Data: <@&#233;&#132;{&#246;           > 40 E9 84 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000211DA321950, 16 bytes long.
 Data: <&#248;W {&#246;           > F8 57 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000211DA3222B0, 16 bytes long.
 Data: <&#216;W {&#246;           > D8 57 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000211DA321C20, 16 bytes long.
 Data: <P  {&#246;           > 50 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000211DA321DB0, 16 bytes long.
 Data: <0  {&#246;           > 30 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000211DA321E00, 16 bytes long.
 Data: <&#224;  {&#246;           > E0 02 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000211DA321450, 16 bytes long.
 Data: <   {&#246;           > 10 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000211DA321EA0, 16 bytes long.
 Data: <p  {&#246;           > 70 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000211DA321540, 16 bytes long.
 Data: < &#192; {&#246;           > 18 C0 7F 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra