Task 38681781

Name test_555-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND3763_0
Workunit 31623432
Created 27 Oct 2026, 5:19:01 UTC
Sent 27 Oct 2026, 5:19:07 UTC
Report deadline 1 Nov 2026, 5:19:07 UTC
Received 27 Oct 2026, 6:00:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652862
Run time 19 min 36 sec
CPU time 18 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.56 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:41:30 (3480): wrapper (7.9.26016): starting
06:41:30 (3480): 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
06:41:31 (3480): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:41:31 (3480): 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\29\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\29\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
07:00:26 (3480): C:/Windows/system32/cmd.exe exited; CPU time 1088.703125
07:00:26 (3480): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 21094541 bytes.
Dumping objects ->
{3835578} normal block at 0x000002468BAADDF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x000002468BAADD80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000002468BAAE170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835545} normal block at 0x000002468BAAE100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835534} normal block at 0x0000024689CB5010, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835503} normal block at 0x000002468BAFAF30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835490} normal block at 0x0000024689CAF920, 8 bytes long.
 Data: <  &#200;&#137;F   > 00 00 C8 89 46 02 00 00 
{3833959} normal block at 0x0000024689CAEF20, 8 bytes long.
 Data: <0&#175;&#176;&#139;F   > 30 AF B0 8B 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024689CB1A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024689CA65C0, 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 0x0000024689CB5410, 16 bytes long.
 Data: <&#168;j&#203;&#137;F           > A8 6A CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024689CB5C80, 16 bytes long.
 Data: < j&#203;&#137;F           > 80 6A CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024689CB07A0, 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 0x0000024689CB5FA0, 16 bytes long.
 Data: <Xj&#203;&#137;F           > 58 6A CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024689CB5960, 16 bytes long.
 Data: <0j&#203;&#137;F           > 30 6A CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024689CB5BE0, 16 bytes long.
 Data: < j&#203;&#137;F           > 08 6A CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024689CB6040, 16 bytes long.
 Data: <&#224;i&#203;&#137;F           > E0 69 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024689CB50F0, 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 0x0000024689CB62C0, 16 bytes long.
 Data: <&#248;&#238;&#201;&#137;F           > F8 EE C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024689CB0260, 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 0x0000024689CB5F00, 16 bytes long.
 Data: <&#208;&#238;&#201;&#137;F           > D0 EE C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024689CB5AA0, 16 bytes long.
 Data: <&#168;&#238;&#201;&#137;F           > A8 EE C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024689CB58C0, 16 bytes long.
 Data: < &#238;&#201;&#137;F           > 80 EE C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024689CB53C0, 16 bytes long.
 Data: <X&#238;&#201;&#137;F           > 58 EE C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024689CB60E0, 16 bytes long.
 Data: <0&#238;&#201;&#137;F           > 30 EE C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024689CB5B40, 16 bytes long.
 Data: < &#238;&#201;&#137;F           > 08 EE C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024689CB01A0, 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 0x0000024689CB5AF0, 16 bytes long.
 Data: <&#224;&#237;&#201;&#137;F           > E0 ED C9 89 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024689C9EDE0, 320 bytes long.
 Data: <&#240;Z&#203;&#137;F   &#160; &#203;&#137;F   > F0 5A CB 89 46 02 00 00 A0 01 CB 89 46 02 00 00 
{275} normal block at 0x0000024689CB5F50, 16 bytes long.
 Data: <&#192;i&#203;&#137;F           > C0 69 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024689CB5E10, 16 bytes long.
 Data: < i&#203;&#137;F           > 98 69 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024689CB0B00, 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 0x0000024689CB5820, 16 bytes long.
 Data: <pi&#203;&#137;F           > 70 69 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024689CB00E0, 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 0x0000024689CB5500, 16 bytes long.
 Data: <&#184;h&#203;&#137;F           > B8 68 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024689CB5DC0, 16 bytes long.
 Data: < h&#203;&#137;F           > 90 68 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024689CB5460, 16 bytes long.
 Data: <hh&#203;&#137;F           > 68 68 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024689CB56E0, 16 bytes long.
 Data: <@h&#203;&#137;F           > 40 68 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024689CB5D70, 16 bytes long.
 Data: < h&#203;&#137;F           > 18 68 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024689CB55F0, 16 bytes long.
 Data: <&#240;g&#203;&#137;F           > F0 67 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024689CB5D20, 16 bytes long.
 Data: < L&#203;&#137;F           > 90 4C CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024689CB4C90, 40 bytes long.
 Data: < ]&#203;&#137;F   0&#175;&#175;&#139;F   > 20 5D CB 89 46 02 00 00 30 AF AF 8B 46 02 00 00 
{261} normal block at 0x0000024689CB5E60, 16 bytes long.
 Data: <&#208;g&#203;&#137;F           > D0 67 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024689CB5FF0, 16 bytes long.
 Data: <&#168;g&#203;&#137;F           > A8 67 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024689CB06E0, 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 0x0000024689CB61D0, 16 bytes long.
 Data: < g&#203;&#137;F           > 80 67 CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024689CB6780, 992 bytes long.
 Data: <&#208;a&#203;&#137;F   &#224; &#203;&#137;F   > D0 61 CB 89 46 02 00 00 E0 06 CB 89 46 02 00 00 
{93} normal block at 0x0000024689CAFE40, 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 0x0000024689CAF330, 16 bytes long.
 Data: <0O&#203;&#137;F           > 30 4F CB 89 46 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024689CB4F30, 40 bytes long.
 Data: <0&#243;&#202;&#137;F   @&#254;&#202;&#137;F   > 30 F3 CA 89 46 02 00 00 40 FE CA 89 46 02 00 00 
{70} normal block at 0x0000024689CAF4C0, 16 bytes long.
 Data: < &#234; &#145;&#246;           > 80 EA 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024689CAF8D0, 16 bytes long.
 Data: <@&#233; &#145;&#246;           > 40 E9 10 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024689CAF880, 16 bytes long.
 Data: <&#248;W &#145;&#246;           > F8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024689CAF1A0, 16 bytes long.
 Data: <&#216;W &#145;&#246;           > D8 57 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024689CAF2E0, 16 bytes long.
 Data: <P  &#145;&#246;           > 50 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024689CAF830, 16 bytes long.
 Data: <0  &#145;&#246;           > 30 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024689CAF740, 16 bytes long.
 Data: <&#224;  &#145;&#246;           > E0 02 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024689CAFB00, 16 bytes long.
 Data: <   &#145;&#246;           > 10 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024689CAF010, 16 bytes long.
 Data: <p  &#145;&#246;           > 70 04 0D 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024689CAF6A0, 16 bytes long.
 Data: < &#192; &#145;&#246;           > 18 C0 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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