Task 38679576

Name test_608-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4661_0
Workunit 31621347
Created 26 Oct 2026, 21:02:17 UTC
Sent 26 Oct 2026, 21:02:22 UTC
Report deadline 31 Oct 2026, 21:02:22 UTC
Received 26 Oct 2026, 21:56:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 41 min 36 sec
CPU time 38 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.80 MB
Peak swap size 3.85 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:16:41 (9788): wrapper (7.9.26016): starting
22:16:41 (9788): 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
22:16:43 (9788): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:16:43 (9788): 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
22:56:32 (9788): C:/Windows/system32/cmd.exe exited; CPU time 2289.890625
22:56:32 (9788): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 41578660 bytes.
Dumping objects ->
{3835280} normal block at 0x000001F8A0F011E0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001F8A0F00AE0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000001F8A0F014F0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x000001F8A0F01100, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001F8A0F00840, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x000001F8A10B7DF0, 64 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 0x000001F8A10CF930, 85 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) : {3835191} normal block at 0x000001F89F549400, 8 bytes long.
 Data: <  R&#159;&#248;   > 00 00 52 9F F8 01 00 00 
{3834566} normal block at 0x000001F8A10CE670, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001F89F5493B0, 8 bytes long.
 Data: <p[ &#161;&#248;   > 70 5B 11 A1 F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F89F554680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F89F536890, 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 0x000001F89F555C10, 16 bytes long.
 Data: <xgU&#159;&#248;           > 78 67 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F89F5562F0, 16 bytes long.
 Data: <PgU&#159;&#248;           > 50 67 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F89F54E9A0, 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 0x000001F89F555BC0, 16 bytes long.
 Data: <(gU&#159;&#248;           > 28 67 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F89F5558A0, 16 bytes long.
 Data: < gU&#159;&#248;           > 00 67 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F89F5558F0, 16 bytes long.
 Data: <&#216;fU&#159;&#248;           > D8 66 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F89F555B70, 16 bytes long.
 Data: <&#176;fU&#159;&#248;           > B0 66 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F89F54F530, 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 0x000001F89F555530, 16 bytes long.
 Data: <(hS&#159;&#248;           > 28 68 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F89F54EEE0, 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 0x000001F89F555E40, 16 bytes long.
 Data: < hS&#159;&#248;           > 00 68 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F89F555DF0, 16 bytes long.
 Data: <&#216;gS&#159;&#248;           > D8 67 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F89F555DA0, 16 bytes long.
 Data: <&#176;gS&#159;&#248;           > B0 67 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F89F555800, 16 bytes long.
 Data: < gS&#159;&#248;           > 88 67 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F89F5562A0, 16 bytes long.
 Data: <`gS&#159;&#248;           > 60 67 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F89F5561B0, 16 bytes long.
 Data: <8gS&#159;&#248;           > 38 67 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F89F54E340, 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 0x000001F89F556020, 16 bytes long.
 Data: < gS&#159;&#248;           > 10 67 53 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F89F536710, 320 bytes long.
 Data: < `U&#159;&#248;   @&#227;T&#159;&#248;   > 20 60 55 9F F8 01 00 00 40 E3 54 9F F8 01 00 00 
{275} normal block at 0x000001F89F556250, 16 bytes long.
 Data: < fU&#159;&#248;           > 90 66 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F89F556160, 16 bytes long.
 Data: <hfU&#159;&#248;           > 68 66 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F89F54EDC0, 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 0x000001F89F556110, 16 bytes long.
 Data: <@fU&#159;&#248;           > 40 66 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F89F54E040, 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 0x000001F89F5557B0, 16 bytes long.
 Data: < eU&#159;&#248;           > 88 65 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F89F555E90, 16 bytes long.
 Data: <`eU&#159;&#248;           > 60 65 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F89F555B20, 16 bytes long.
 Data: <8eU&#159;&#248;           > 38 65 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F89F555C60, 16 bytes long.
 Data: < eU&#159;&#248;           > 10 65 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F89F555850, 16 bytes long.
 Data: <&#232;dU&#159;&#248;           > E8 64 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F89F555490, 16 bytes long.
 Data: <&#192;dU&#159;&#248;           > C0 64 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F89F555760, 16 bytes long.
 Data: <&#224;&#243;T&#159;&#248;           > E0 F3 54 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F89F54F3E0, 40 bytes long.
 Data: <`WU&#159;&#248;   &#240;} &#161;&#248;   > 60 57 55 9F F8 01 00 00 F0 7D 0B A1 F8 01 00 00 
{261} normal block at 0x000001F89F555A80, 16 bytes long.
 Data: <&#160;dU&#159;&#248;           > A0 64 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F89F5559E0, 16 bytes long.
 Data: <xdU&#159;&#248;           > 78 64 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F89F54EE20, 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 0x000001F89F5563E0, 16 bytes long.
 Data: <PdU&#159;&#248;           > 50 64 55 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F89F556450, 992 bytes long.
 Data: <&#224;cU&#159;&#248;    &#238;T&#159;&#248;   > E0 63 55 9F F8 01 00 00 20 EE 54 9F F8 01 00 00 
{93} normal block at 0x000001F89F54E2E0, 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 0x000001F89F54A080, 16 bytes long.
 Data: <&#160;&#245;T&#159;&#248;           > A0 F5 54 9F F8 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F89F54F5A0, 40 bytes long.
 Data: < &#160;T&#159;&#248;   &#224;&#226;T&#159;&#248;   > 80 A0 54 9F F8 01 00 00 E0 E2 54 9F F8 01 00 00 
{70} normal block at 0x000001F89F549AE0, 16 bytes long.
 Data: < &#234;Q&#140;&#247;           > 80 EA 51 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F89F54A030, 16 bytes long.
 Data: <@&#233;Q&#140;&#247;           > 40 E9 51 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F89F549FE0, 16 bytes long.
 Data: <&#248;WN&#140;&#247;           > F8 57 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F89F549EF0, 16 bytes long.
 Data: <&#216;WN&#140;&#247;           > D8 57 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F89F549E50, 16 bytes long.
 Data: <P N&#140;&#247;           > 50 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F89F54A1C0, 16 bytes long.
 Data: <0 N&#140;&#247;           > 30 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F89F549D10, 16 bytes long.
 Data: <&#224; N&#140;&#247;           > E0 02 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F89F549CC0, 16 bytes long.
 Data: <  N&#140;&#247;           > 10 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F89F549E00, 16 bytes long.
 Data: <p N&#140;&#247;           > 70 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F89F549360, 16 bytes long.
 Data: < &#192;L&#140;&#247;           > 18 C0 4C 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra