Task 38677174

Name test_896-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4007_0
Workunit 31619056
Created 26 Oct 2026, 13:31:30 UTC
Sent 26 Oct 2026, 13:31:39 UTC
Report deadline 31 Oct 2026, 13:31:39 UTC
Received 26 Oct 2026, 13:54:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 18 min 13 sec
CPU time 16 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.21 MB
Peak swap size 11.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:36:41 (30312): wrapper (7.9.26016): starting
06:36:41 (30312): 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
06:36:42 (30312): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:36:42 (30312): 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\32\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\32\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
06:54:03 (30312): C:/Windows/system32/cmd.exe exited; CPU time 990.906250
06:54:03 (30312): 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: 25692233 bytes.
Dumping objects ->
{3835512} normal block at 0x0000016760AB65C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x0000016760AB6940, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000016760AB6550, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x0000016760AB6C50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000016760AB6860, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x00000167626CE9F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x0000016760ADDA60, 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) : {3835423} normal block at 0x0000016760AAEC30, 8 bytes long.
 Data: <  &#168;`g   > 00 00 A8 60 67 01 00 00 
{3834678} normal block at 0x0000016760ADDE80, 102 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 0x0000016760AAEFF0, 8 bytes long.
 Data: <p&#235;&#184;`g   > 70 EB B8 60 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000016760AB3010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016760A9FE30, 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 0x0000016760AB7410, 16 bytes long.
 Data: <&#248; &#171;`g           > F8 81 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016760AB7140, 16 bytes long.
 Data: <&#208; &#171;`g           > D0 81 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016760AB0C40, 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 0x0000016760AB7A00, 16 bytes long.
 Data: <&#168; &#171;`g           > A8 81 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016760AB7870, 16 bytes long.
 Data: <  &#171;`g           > 80 81 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016760AB7780, 16 bytes long.
 Data: <X &#171;`g           > 58 81 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016760AB7550, 16 bytes long.
 Data: <0 &#171;`g           > 30 81 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016760AB68D0, 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 0x0000016760AB74B0, 16 bytes long.
 Data: <&#216; &#170;`g           > D8 13 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016760AB0FA0, 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 0x0000016760AB75A0, 16 bytes long.
 Data: <&#176; &#170;`g           > B0 13 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016760AB7500, 16 bytes long.
 Data: <  &#170;`g           > 88 13 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016760AB7DC0, 16 bytes long.
 Data: <` &#170;`g           > 60 13 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016760AB7D20, 16 bytes long.
 Data: <8 &#170;`g           > 38 13 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016760AB7640, 16 bytes long.
 Data: <  &#170;`g           > 10 13 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016760AB7CD0, 16 bytes long.
 Data: <&#232; &#170;`g           > E8 12 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016760AB05E0, 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 0x0000016760AB6F60, 16 bytes long.
 Data: <&#192; &#170;`g           > C0 12 AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016760AA12C0, 320 bytes long.
 Data: <`o&#171;`g   &#224; &#171;`g   > 60 6F AB 60 67 01 00 00 E0 05 AB 60 67 01 00 00 
{275} normal block at 0x0000016760AB78C0, 16 bytes long.
 Data: <  &#171;`g           > 10 81 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016760AB73C0, 16 bytes long.
 Data: <&#232; &#171;`g           > E8 80 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016760AB0A00, 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 0x0000016760AB7E60, 16 bytes long.
 Data: <&#192; &#171;`g           > C0 80 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016760AB0A60, 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 0x0000016760AB7370, 16 bytes long.
 Data: <  &#171;`g           > 08 80 AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016760AB7AA0, 16 bytes long.
 Data: <&#224; &#171;`g           > E0 7F AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016760AB6FB0, 16 bytes long.
 Data: <&#184; &#171;`g           > B8 7F AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016760AB7730, 16 bytes long.
 Data: <  &#171;`g           > 90 7F AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016760AB7960, 16 bytes long.
 Data: <h &#171;`g           > 68 7F AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016760AB7A50, 16 bytes long.
 Data: <@ &#171;`g           > 40 7F AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016760AB7320, 16 bytes long.
 Data: < k&#171;`g           > 00 6B AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016760AB6B00, 40 bytes long.
 Data: < s&#171;`g   &#240;&#233;lbg   > 20 73 AB 60 67 01 00 00 F0 E9 6C 62 67 01 00 00 
{261} normal block at 0x0000016760AB7C80, 16 bytes long.
 Data: <  &#171;`g           > 20 7F AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016760AB75F0, 16 bytes long.
 Data: <&#248;~&#171;`g           > F8 7E AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016760AB0940, 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 0x0000016760AB71E0, 16 bytes long.
 Data: <&#208;~&#171;`g           > D0 7E AB 60 67 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016760AB7ED0, 992 bytes long.
 Data: <&#224;q&#171;`g   @	&#171;`g   > E0 71 AB 60 67 01 00 00 40 09 AB 60 67 01 00 00 
{93} normal block at 0x0000016760AB1360, 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 0x0000016760AAF090, 16 bytes long.
 Data: <&#224; &#170;`g           > E0 0F AA 60 67 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000016760AA0FE0, 40 bytes long.
 Data: < &#240;&#170;`g   ` &#171;`g   > 90 F0 AA 60 67 01 00 00 60 13 AB 60 67 01 00 00 
{70} normal block at 0x0000016760AAF680, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016760AAED20, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016760AAEA00, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016760AAEEB0, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016760AAF3B0, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016760AAF310, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016760AAF2C0, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016760AAEA50, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016760AAF400, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016760AAEAF0, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra