Task 38678273

Name test_492-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2348_0
Workunit 31620099
Created 26 Oct 2026, 16:54:46 UTC
Sent 26 Oct 2026, 16:54:51 UTC
Report deadline 31 Oct 2026, 16:54:51 UTC
Received 26 Oct 2026, 22:00:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629688
Run time 51 min 48 sec
CPU time 50 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,115.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.50 MB
Peak swap size 9.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:08:48 (11016): wrapper (7.9.26016): starting
22:08:48 (11016): 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
22:08:49 (11016): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:08:49 (11016): 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\9\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\9\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
22:59:58 (11016): C:/Windows/system32/cmd.exe exited; CPU time 3030.328125
22:59:58 (11016): 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: 44624269 bytes.
Dumping objects ->
{3835521} normal block at 0x00000252A5FDCF10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x00000252A5FDC810, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x00000252A42D4970, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x00000252A42D4900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x00000252A42D4580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x00000252A6029E70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x00000252A603F2D0, 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) : {3835432} normal block at 0x00000252A42CF2F0, 8 bytes long.
 Data: <  (&#164;R   > 00 00 28 A4 52 02 00 00 
{3834686} normal block at 0x00000252A603F850, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000252A42CEA80, 8 bytes long.
 Data: <@&#151;/&#164;R   > 40 97 2F A4 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000252A42D05F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000252A42C64E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000252A42D5350, 16 bytes long.
 Data: < d-&#164;R           > 08 64 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000252A42D5AD0, 16 bytes long.
 Data: <&#224;c-&#164;R           > E0 63 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000252A42CF940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000252A42D6070, 16 bytes long.
 Data: <&#184;c-&#164;R           > B8 63 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000252A42D6020, 16 bytes long.
 Data: < c-&#164;R           > 90 63 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000252A42D53A0, 16 bytes long.
 Data: <hc-&#164;R           > 68 63 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000252A42D5C10, 16 bytes long.
 Data: <@c-&#164;R           > 40 63 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000252A42D46D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000252A42D5FD0, 16 bytes long.
 Data: <X&#239;+&#164;R           > 58 EF 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000252A42CF8E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000252A42D5F80, 16 bytes long.
 Data: <0&#239;+&#164;R           > 30 EF 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000252A42D5300, 16 bytes long.
 Data: < &#239;+&#164;R           > 08 EF 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000252A42D5BC0, 16 bytes long.
 Data: <&#224;&#238;+&#164;R           > E0 EE 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000252A42D5670, 16 bytes long.
 Data: <&#184;&#238;+&#164;R           > B8 EE 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000252A42D5EE0, 16 bytes long.
 Data: < &#238;+&#164;R           > 90 EE 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000252A42D5580, 16 bytes long.
 Data: <h&#238;+&#164;R           > 68 EE 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000252A42D0060, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000252A42D56C0, 16 bytes long.
 Data: <@&#238;+&#164;R           > 40 EE 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000252A42BEE40, 320 bytes long.
 Data: <&#192;V-&#164;R   ` -&#164;R   > C0 56 2D A4 52 02 00 00 60 00 2D A4 52 02 00 00 
{276} normal block at 0x00000252A42D5E40, 16 bytes long.
 Data: < c-&#164;R           > 20 63 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000252A42D5490, 16 bytes long.
 Data: <&#248;b-&#164;R           > F8 62 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000252A42CFF40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000252A42D5120, 16 bytes long.
 Data: <&#208;b-&#164;R           > D0 62 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000252A42D04E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000252A42D52B0, 16 bytes long.
 Data: < b-&#164;R           > 18 62 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000252A42D5DA0, 16 bytes long.
 Data: <&#240;a-&#164;R           > F0 61 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000252A42D5B70, 16 bytes long.
 Data: <&#200;a-&#164;R           > C8 61 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000252A42D5A80, 16 bytes long.
 Data: <&#160;a-&#164;R           > A0 61 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000252A42D5E90, 16 bytes long.
 Data: <xa-&#164;R           > 78 61 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000252A42D5D50, 16 bytes long.
 Data: <Pa-&#164;R           > 50 61 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000252A42D55D0, 16 bytes long.
 Data: < H-&#164;R           > 20 48 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000252A42D4820, 40 bytes long.
 Data: <&#208;U-&#164;R   p&#158; &#166;R   > D0 55 2D A4 52 02 00 00 70 9E 02 A6 52 02 00 00 
{262} normal block at 0x00000252A42D5CB0, 16 bytes long.
 Data: <0a-&#164;R           > 30 61 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000252A42D5D00, 16 bytes long.
 Data: < a-&#164;R           > 08 61 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000252A42D0180, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000252A42D59E0, 16 bytes long.
 Data: <&#224;`-&#164;R           > E0 60 2D A4 52 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000252A42D60E0, 992 bytes long.
 Data: <&#224;Y-&#164;R     -&#164;R   > E0 59 2D A4 52 02 00 00 80 01 2D A4 52 02 00 00 
{94} normal block at 0x00000252A42D00C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000252A42CF110, 16 bytes long.
 Data: <&#208;&#237;+&#164;R           > D0 ED 2B A4 52 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000252A42BEDD0, 40 bytes long.
 Data: < &#241;,&#164;R   &#192; -&#164;R   > 10 F1 2C A4 52 02 00 00 C0 00 2D A4 52 02 00 00 
{71} normal block at 0x00000252A42CF070, 16 bytes long.
 Data: < &#234;>&#246;&#247;           > 80 EA 3E F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000252A42CE710, 16 bytes long.
 Data: <@&#233;>&#246;&#247;           > 40 E9 3E F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000252A42CEF80, 16 bytes long.
 Data: <&#248;W;&#246;&#247;           > F8 57 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000252A42CECB0, 16 bytes long.
 Data: <&#216;W;&#246;&#247;           > D8 57 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000252A42CEE40, 16 bytes long.
 Data: <P ;&#246;&#247;           > 50 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000252A42CF340, 16 bytes long.
 Data: <0 ;&#246;&#247;           > 30 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000252A42CEEE0, 16 bytes long.
 Data: <&#224; ;&#246;&#247;           > E0 02 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000252A42CE7B0, 16 bytes long.
 Data: <  ;&#246;&#247;           > 10 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000252A42CEB20, 16 bytes long.
 Data: <p ;&#246;&#247;           > 70 04 3B F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000252A42CF480, 16 bytes long.
 Data: < &#192;9&#246;&#247;           > 18 C0 39 F6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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