Task 38696681

Name test_380-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5402_0
Workunit 31637301
Created 1 Nov 2026, 3:24:14 UTC
Sent 1 Nov 2026, 3:24:21 UTC
Report deadline 6 Nov 2026, 3:24:21 UTC
Received 1 Nov 2026, 4:45:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654982
Run time 20 min 33 sec
CPU time 19 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.73 MB
Peak swap size 9.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:24:59 (6440): wrapper (7.9.26016): starting
05:24:59 (6440): 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
05:25:00 (6440): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:25:00 (6440): 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\3\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\3\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
05:44:51 (6440): C:/Windows/system32/cmd.exe exited; CPU time 1170.031250
05:44:51 (6440): 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: 23562957 bytes.
Dumping objects ->
{3835615} normal block at 0x000001382E33FA40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835604} normal block at 0x000001382E33FC00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835593} normal block at 0x000001382C634A60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835582} normal block at 0x000001382C634E50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835571} normal block at 0x000001382C634DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835540} normal block at 0x000001382E3BACD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x000001382E3CEDF0, 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) : {3835526} normal block at 0x000001382C62DE10, 8 bytes long.
 Data: <  \,8   > 00 00 5C 2C 38 01 00 00 
{3834722} normal block at 0x000001382E3CED40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001382C62D7D0, 8 bytes long.
 Data: <p&#218;a,8   > 70 DA 61 2C 38 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001382C631930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001382C6266C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001382C636540, 16 bytes long.
 Data: <&#216;hc,8           > D8 68 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001382C636450, 16 bytes long.
 Data: <&#176;hc,8           > B0 68 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001382C62FA40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001382C635D70, 16 bytes long.
 Data: < hc,8           > 88 68 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001382C636400, 16 bytes long.
 Data: <`hc,8           > 60 68 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001382C635730, 16 bytes long.
 Data: <8hc,8           > 38 68 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001382C635AF0, 16 bytes long.
 Data: < hc,8           > 10 68 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001382C634830, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001382C6363B0, 16 bytes long.
 Data: < &#184;a,8           > 08 B8 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001382C62F260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001382C636310, 16 bytes long.
 Data: <&#224;&#183;a,8           > E0 B7 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001382C635780, 16 bytes long.
 Data: <&#184;&#183;a,8           > B8 B7 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001382C636180, 16 bytes long.
 Data: < &#183;a,8           > 90 B7 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001382C635FF0, 16 bytes long.
 Data: <h&#183;a,8           > 68 B7 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001382C6359B0, 16 bytes long.
 Data: <@&#183;a,8           > 40 B7 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001382C635F00, 16 bytes long.
 Data: < &#183;a,8           > 18 B7 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001382C62F380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001382C6360E0, 16 bytes long.
 Data: <&#240;&#182;a,8           > F0 B6 61 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001382C61B6F0, 320 bytes long.
 Data: <&#224;`c,8    &#243;b,8   > E0 60 63 2C 38 01 00 00 80 F3 62 2C 38 01 00 00 
{279} normal block at 0x000001382C635FA0, 16 bytes long.
 Data: <&#240;gc,8           > F0 67 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001382C6364A0, 16 bytes long.
 Data: <&#200;gc,8           > C8 67 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001382C62F9E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001382C636130, 16 bytes long.
 Data: <&#160;gc,8           > A0 67 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001382C62EE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001382C636090, 16 bytes long.
 Data: <&#232;fc,8           > E8 66 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001382C6362C0, 16 bytes long.
 Data: <&#192;fc,8           > C0 66 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001382C6356E0, 16 bytes long.
 Data: < fc,8           > 98 66 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001382C635D20, 16 bytes long.
 Data: <pfc,8           > 70 66 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001382C636040, 16 bytes long.
 Data: <Hfc,8           > 48 66 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001382C6364F0, 16 bytes long.
 Data: < fc,8           > 20 66 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001382C635A50, 16 bytes long.
 Data: <0Oc,8           > 30 4F 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001382C634F30, 40 bytes long.
 Data: <PZc,8   &#208;&#172;;.8   > 50 5A 63 2C 38 01 00 00 D0 AC 3B 2E 38 01 00 00 
{265} normal block at 0x000001382C635EB0, 16 bytes long.
 Data: < fc,8           > 00 66 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001382C635690, 16 bytes long.
 Data: <&#216;ec,8           > D8 65 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001382C62F1A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001382C636360, 16 bytes long.
 Data: <&#176;ec,8           > B0 65 63 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001382C6365B0, 992 bytes long.
 Data: <`cc,8   &#160;&#241;b,8   > 60 63 63 2C 38 01 00 00 A0 F1 62 2C 38 01 00 00 
{97} normal block at 0x000001382C62F560, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001382C62DFF0, 16 bytes long.
 Data: < &#235;b,8           > 80 EB 62 2C 38 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001382C62EB80, 40 bytes long.
 Data: <&#240;&#223;b,8   `&#245;b,8   > F0 DF 62 2C 38 01 00 00 60 F5 62 2C 38 01 00 00 
{74} normal block at 0x000001382C62DAA0, 16 bytes long.
 Data: < &#234; &#233;&#247;           > 80 EA 20 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001382C62D5F0, 16 bytes long.
 Data: <@&#233; &#233;&#247;           > 40 E9 20 E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001382C62E180, 16 bytes long.
 Data: <&#248;W &#233;&#247;           > F8 57 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001382C62DAF0, 16 bytes long.
 Data: <&#216;W &#233;&#247;           > D8 57 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001382C62E040, 16 bytes long.
 Data: <P  &#233;&#247;           > 50 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001382C62DB90, 16 bytes long.
 Data: <0  &#233;&#247;           > 30 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001382C62E0E0, 16 bytes long.
 Data: <&#224;  &#233;&#247;           > E0 02 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001382C62E090, 16 bytes long.
 Data: <   &#233;&#247;           > 10 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001382C62D5A0, 16 bytes long.
 Data: <p  &#233;&#247;           > 70 04 1D E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001382C62D910, 16 bytes long.
 Data: < &#192; &#233;&#247;           > 18 C0 1B E9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra