Task 38685407

Name test_383-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2067_1
Workunit 31626447
Created 27 Oct 2026, 20:53:41 UTC
Sent 27 Oct 2026, 20:53:42 UTC
Report deadline 1 Nov 2026, 20:53:42 UTC
Received 27 Oct 2026, 21:50:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 43 sec
CPU time 32 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.05 MB
Peak swap size 8.47 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
22:15:54 (26228): wrapper (7.9.26016): starting
22:15:54 (26228): 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
22:15:56 (26228): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:15:56 (26228): 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:\Boinc_data\slots\5\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:\Boinc_data\slots\5\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
22:49:49 (26228): C:/Windows/system32/cmd.exe exited; CPU time 1948.562500
22:49:49 (26228): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 42331135 bytes.
Dumping objects ->
{3835307} normal block at 0x000002E318176ED0, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x000002E319DD3B60, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x000002E319DD37A0, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x000002E319DD4460, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x000002E319DD3D40, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x000002E318176610, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x000002E319D9D910, 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) : {3835218} normal block at 0x000002E3181473B0, 8 bytes long.
 Data: <  	 &#227;   > 00 00 09 18 E3 02 00 00 
{3834570} normal block at 0x000002E319D9D9C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002E318147360, 8 bytes long.
 Data: <&#160;n&#221; &#227;   > A0 6E DD 19 E3 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002E318151770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E31814D350, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002E3181531B0, 16 bytes long.
 Data: < >  &#227;           > 98 3E 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002E318152940, 16 bytes long.
 Data: <p>  &#227;           > 70 3E 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E31814C110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002E3181528F0, 16 bytes long.
 Data: <H>  &#227;           > 48 3E 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E318152A80, 16 bytes long.
 Data: < >  &#227;           > 20 3E 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002E318153160, 16 bytes long.
 Data: <&#248;=  &#227;           > F8 3D 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002E318153480, 16 bytes long.
 Data: <&#208;=  &#227;           > D0 3D 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002E31814D700, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002E318153200, 16 bytes long.
 Data: <H&  &#227;           > 48 26 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E31814B930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002E3181529E0, 16 bytes long.
 Data: < &  &#227;           > 20 26 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E318153610, 16 bytes long.
 Data: <&#248;%  &#227;           > F8 25 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E3181535C0, 16 bytes long.
 Data: <&#208;%  &#227;           > D0 25 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E318152800, 16 bytes long.
 Data: <&#168;%  &#227;           > A8 25 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002E318153110, 16 bytes long.
 Data: < %  &#227;           > 80 25 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E318152FD0, 16 bytes long.
 Data: <X%  &#227;           > 58 25 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002E31814BDB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002E318153520, 16 bytes long.
 Data: <0%  &#227;           > 30 25 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E318152530, 320 bytes long.
 Data: < 5  &#227;   &#176;   &#227;   > 20 35 15 18 E3 02 00 00 B0 BD 14 18 E3 02 00 00 
{274} normal block at 0x000002E318152EE0, 16 bytes long.
 Data: <&#176;=  &#227;           > B0 3D 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E318152B20, 16 bytes long.
 Data: < =  &#227;           > 88 3D 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002E31814BF30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002E318152850, 16 bytes long.
 Data: <`=  &#227;           > 60 3D 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E31814B810, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002E318152F80, 16 bytes long.
 Data: <&#168;<  &#227;           > A8 3C 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E318152E90, 16 bytes long.
 Data: < <  &#227;           > 80 3C 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E318152C60, 16 bytes long.
 Data: <X<  &#227;           > 58 3C 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002E318152DF0, 16 bytes long.
 Data: <0<  &#227;           > 30 3C 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E318153340, 16 bytes long.
 Data: < <  &#227;           > 08 3C 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E318153070, 16 bytes long.
 Data: <&#224;;  &#227;           > E0 3B 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E318152D00, 16 bytes long.
 Data: <&#240;&#218;  &#227;           > F0 DA 14 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E31814DAF0, 40 bytes long.
 Data: < -  &#227;    f  &#227;   > 00 2D 15 18 E3 02 00 00 10 66 17 18 E3 02 00 00 
{260} normal block at 0x000002E318152B70, 16 bytes long.
 Data: <&#192;;  &#227;           > C0 3B 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E3181528A0, 16 bytes long.
 Data: < ;  &#227;           > 98 3B 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002E31814BED0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002E318152E40, 16 bytes long.
 Data: <p;  &#227;           > 70 3B 15 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002E318153B70, 992 bytes long.
 Data: <@.  &#227;   &#208;&#190;  &#227;   > 40 2E 15 18 E3 02 00 00 D0 BE 14 18 E3 02 00 00 
{92} normal block at 0x000002E31814BC30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002E318146C30, 16 bytes long.
 Data: <P&#216;  &#227;           > 50 D8 14 18 E3 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002E31814D850, 40 bytes long.
 Data: <0l  &#227;   0&#188;  &#227;   > 30 6C 14 18 E3 02 00 00 30 BC 14 18 E3 02 00 00 
{69} normal block at 0x000002E318147630, 16 bytes long.
 Data: < &#234;S&#130;&#246;           > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E318146BE0, 16 bytes long.
 Data: <@&#233;S&#130;&#246;           > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E318146FF0, 16 bytes long.
 Data: <&#248;WP&#130;&#246;           > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E318146DC0, 16 bytes long.
 Data: <&#216;WP&#130;&#246;           > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E318146AA0, 16 bytes long.
 Data: <P P&#130;&#246;           > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E318146D70, 16 bytes long.
 Data: <0 P&#130;&#246;           > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E318146EB0, 16 bytes long.
 Data: <&#224; P&#130;&#246;           > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002E318147270, 16 bytes long.
 Data: <  P&#130;&#246;           > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002E318146FA0, 16 bytes long.
 Data: <p P&#130;&#246;           > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002E318146B40, 16 bytes long.
 Data: < &#192;N&#130;&#246;           > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra