Task 38687343

Name test_98-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND2255_0
Workunit 31628736
Created 28 Oct 2026, 7:16:39 UTC
Sent 28 Oct 2026, 7:16:44 UTC
Report deadline 2 Nov 2026, 7:16:44 UTC
Received 28 Oct 2026, 7:48:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639137
Run time 31 min 8 sec
CPU time 28 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.16 MB
Peak swap size 8.31 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:18:38 (8284): wrapper (7.9.26016): starting
11:18:38 (8284): 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
11:18:40 (8284): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:18:40 (8284): 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\10\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\10\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
11:48:12 (8284): C:/Windows/system32/cmd.exe exited; CPU time 1706.140625
11:48:12 (8284): 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: 48259145 bytes.
Dumping objects ->
{3835387} normal block at 0x00000232D407DF40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x00000232D407DAE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x00000232D2345370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835354} normal block at 0x00000232D23450D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835343} normal block at 0x00000232D23451B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835312} normal block at 0x00000232D40CBB30, 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) : {3835299} normal block at 0x00000232D233DDC0, 8 bytes long.
 Data: <  /&#210;2   > 00 00 2F D2 32 02 00 00 
{3833968} normal block at 0x00000232D233D550, 8 bytes long.
 Data: <`&#215;2&#210;2   > 60 D7 32 D2 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000232D2341210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000232D2336A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000232D23462B0, 16 bytes long.
 Data: <(m4&#210;2           > 28 6D 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000232D23468F0, 16 bytes long.
 Data: < m4&#210;2           > 00 6D 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000232D23407A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000232D23468A0, 16 bytes long.
 Data: <&#216;l4&#210;2           > D8 6C 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000232D23467B0, 16 bytes long.
 Data: <&#176;l4&#210;2           > B0 6C 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000232D2345F90, 16 bytes long.
 Data: < l4&#210;2           > 88 6C 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000232D2346990, 16 bytes long.
 Data: <`l4&#210;2           > 60 6C 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000232D23454C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000232D2346760, 16 bytes long.
 Data: <&#184;&#242;2&#210;2           > B8 F2 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000232D233FEA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000232D2345F40, 16 bytes long.
 Data: < &#242;2&#210;2           > 90 F2 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000232D2345EF0, 16 bytes long.
 Data: <h&#242;2&#210;2           > 68 F2 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000232D2346710, 16 bytes long.
 Data: <@&#242;2&#210;2           > 40 F2 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000232D2346440, 16 bytes long.
 Data: < &#242;2&#210;2           > 18 F2 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000232D2346170, 16 bytes long.
 Data: <&#240;&#241;2&#210;2           > F0 F1 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000232D2346580, 16 bytes long.
 Data: <&#200;&#241;2&#210;2           > C8 F1 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000232D2340740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000232D2346940, 16 bytes long.
 Data: <&#160;&#241;2&#210;2           > A0 F1 32 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000232D232F1A0, 320 bytes long.
 Data: <@i4&#210;2   @ 4&#210;2   > 40 69 34 D2 32 02 00 00 40 07 34 D2 32 02 00 00 
{277} normal block at 0x00000232D2345AE0, 16 bytes long.
 Data: <@l4&#210;2           > 40 6C 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000232D2346800, 16 bytes long.
 Data: < l4&#210;2           > 18 6C 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000232D2340260, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000232D2346350, 16 bytes long.
 Data: <&#240;k4&#210;2           > F0 6B 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000232D2340440, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000232D2346030, 16 bytes long.
 Data: <8k4&#210;2           > 38 6B 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000232D23460D0, 16 bytes long.
 Data: < k4&#210;2           > 10 6B 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000232D2345E00, 16 bytes long.
 Data: <&#232;j4&#210;2           > E8 6A 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000232D2345EA0, 16 bytes long.
 Data: <&#192;j4&#210;2           > C0 6A 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000232D23466C0, 16 bytes long.
 Data: < j4&#210;2           > 98 6A 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000232D2346080, 16 bytes long.
 Data: <pj4&#210;2           > 70 6A 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000232D2345DB0, 16 bytes long.
 Data: <&#240;O4&#210;2           > F0 4F 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000232D2344FF0, 40 bytes long.
 Data: <&#176;]4&#210;2   0&#187; &#212;2   > B0 5D 34 D2 32 02 00 00 30 BB 0C D4 32 02 00 00 
{263} normal block at 0x00000232D23463A0, 16 bytes long.
 Data: <Pj4&#210;2           > 50 6A 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000232D2346670, 16 bytes long.
 Data: <(j4&#210;2           > 28 6A 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000232D23402C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000232D23463F0, 16 bytes long.
 Data: < j4&#210;2           > 00 6A 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000232D2346A00, 992 bytes long.
 Data: <&#240;c4&#210;2   &#192; 4&#210;2   > F0 63 34 D2 32 02 00 00 C0 02 34 D2 32 02 00 00 
{95} normal block at 0x00000232D233FF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000232D233E040, 16 bytes long.
 Data: <PT4&#210;2           > 50 54 34 D2 32 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000232D2345450, 40 bytes long.
 Data: <@&#224;3&#210;2    &#255;3&#210;2   > 40 E0 33 D2 32 02 00 00 00 FF 33 D2 32 02 00 00 
{72} normal block at 0x00000232D233DD70, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 81 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000232D233E360, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 81 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000232D233E270, 16 bytes long.
 Data: <&#248;W~ &#247;           > F8 57 7E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000232D233E130, 16 bytes long.
 Data: <&#216;W~ &#247;           > D8 57 7E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000232D233E220, 16 bytes long.
 Data: <P ~ &#247;           > 50 04 7E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000232D233DA50, 16 bytes long.
 Data: <0 ~ &#247;           > 30 04 7E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000232D233E450, 16 bytes long.
 Data: <&#224; ~ &#247;           > E0 02 7E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000232D233E310, 16 bytes long.
 Data: <  ~ &#247;           > 10 04 7E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000232D233E1D0, 16 bytes long.
 Data: <p ~ &#247;           > 70 04 7E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000232D233D960, 16 bytes long.
 Data: < &#192;| &#247;           > 18 C0 7C 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra