Task 38687182

Name test_448-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7507_0
Workunit 31628580
Created 28 Oct 2026, 6:25:44 UTC
Sent 28 Oct 2026, 6:25:51 UTC
Report deadline 2 Nov 2026, 6:25:51 UTC
Received 28 Oct 2026, 7:14:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 52 sec
CPU time 32 min 18 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 708.68 MB
Peak swap size 8.47 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
07:40:02 (35020): wrapper (7.9.26016): starting
07:40:02 (35020): 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
07:40:04 (35020): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:40:04 (35020): 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
08:13:56 (35020): C:/Windows/system32/cmd.exe exited; CPU time 1938.828125
08:13:56 (35020): 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: 44921199 bytes.
Dumping objects ->
{3835307} normal block at 0x00000243449967D0, 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 0x00000243466C4E10, 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 0x00000243466C52F0, 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 0x00000243466C58F0, 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 0x00000243466C4CF0, 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 0x0000024344996DF0, 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 0x000002434668DD70, 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 0x0000024344967340, 8 bytes long.
 Data: <  FFC   > 00 00 46 46 43 02 00 00 
{3834570} normal block at 0x000002434668DB60, 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 0x0000024344967250, 8 bytes long.
 Data: <&#240;ftFC   > F0 66 74 46 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024344971A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002434496D660, 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 0x00000243449735B0, 16 bytes long.
 Data: <&#168;A&#151;DC           > A8 41 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024344973560, 16 bytes long.
 Data: < A&#151;DC           > 80 41 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002434496C5A0, 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 0x0000024344973420, 16 bytes long.
 Data: <XA&#151;DC           > 58 41 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000243449733D0, 16 bytes long.
 Data: <0A&#151;DC           > 30 41 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024344973380, 16 bytes long.
 Data: < A&#151;DC           > 08 41 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024344973240, 16 bytes long.
 Data: <&#224;@&#151;DC           > E0 40 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002434496DC40, 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 0x00000243449731F0, 16 bytes long.
 Data: <X)&#151;DC           > 58 29 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002434496BB20, 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 0x0000024344972CF0, 16 bytes long.
 Data: <0)&#151;DC           > 30 29 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024344972F20, 16 bytes long.
 Data: < )&#151;DC           > 08 29 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000243449734C0, 16 bytes long.
 Data: <&#224;(&#151;DC           > E0 28 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024344973880, 16 bytes long.
 Data: <&#184;(&#151;DC           > B8 28 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024344972E30, 16 bytes long.
 Data: < (&#151;DC           > 90 28 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024344972B10, 16 bytes long.
 Data: <h(&#151;DC           > 68 28 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002434496C7E0, 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 0x0000024344972CA0, 16 bytes long.
 Data: <@(&#151;DC           > 40 28 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024344972840, 320 bytes long.
 Data: <&#160;,&#151;DC   &#224;&#199;&#150;DC   > A0 2C 97 44 43 02 00 00 E0 C7 96 44 43 02 00 00 
{274} normal block at 0x00000243449738D0, 16 bytes long.
 Data: <&#192;@&#151;DC           > C0 40 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024344973650, 16 bytes long.
 Data: < @&#151;DC           > 98 40 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002434496C600, 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 0x0000024344973060, 16 bytes long.
 Data: <p@&#151;DC           > 70 40 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002434496BBE0, 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 0x00000243449732E0, 16 bytes long.
 Data: <&#184;?&#151;DC           > B8 3F 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024344972DE0, 16 bytes long.
 Data: < ?&#151;DC           > 90 3F 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024344972B60, 16 bytes long.
 Data: <h?&#151;DC           > 68 3F 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024344973150, 16 bytes long.
 Data: <@?&#151;DC           > 40 3F 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024344972FC0, 16 bytes long.
 Data: < ?&#151;DC           > 18 3F 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000243449739C0, 16 bytes long.
 Data: <&#240;>&#151;DC           > F0 3E 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024344973920, 16 bytes long.
 Data: <&#208;&#219;&#150;DC           > D0 DB 96 44 43 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002434496DBD0, 40 bytes long.
 Data: < 9&#151;DC   &#240;m DC   > 20 39 97 44 43 02 00 00 F0 6D 99 44 43 02 00 00 
{260} normal block at 0x0000024344973830, 16 bytes long.
 Data: <&#208;>&#151;DC           > D0 3E 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024344972ED0, 16 bytes long.
 Data: <&#168;>&#151;DC           > A8 3E 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002434496BAC0, 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 0x00000243449737E0, 16 bytes long.
 Data: < >&#151;DC           > 80 3E 97 44 43 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024344973E80, 992 bytes long.
 Data: <&#224;7&#151;DC   &#192;&#186;&#150;DC   > E0 37 97 44 43 02 00 00 C0 BA 96 44 43 02 00 00 
{92} normal block at 0x000002434496BFA0, 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 0x0000024344966D00, 16 bytes long.
 Data: < &#218;&#150;DC           > 10 DA 96 44 43 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002434496DA10, 40 bytes long.
 Data: < m&#150;DC   &#160;&#191;&#150;DC   > 00 6D 96 44 43 02 00 00 A0 BF 96 44 43 02 00 00 
{69} normal block at 0x0000024344967750, 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 0x00000243449676B0, 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 0x00000243449679D0, 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 0x0000024344967070, 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 0x0000024344967660, 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 0x0000024344966EE0, 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 0x0000024344967020, 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 0x0000024344967200, 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 0x0000024344967B60, 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 0x00000243449671B0, 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