Task 38681016

Name test_74-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2754_2
Workunit 31607388
Created 27 Oct 2026, 2:16:21 UTC
Sent 27 Oct 2026, 2:16:23 UTC
Report deadline 1 Nov 2026, 2:16:23 UTC
Received 27 Oct 2026, 5:49:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 3 hours 5 min 35 sec
CPU time 3 hours 5 min 35 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.59 MB
Peak swap size 11.54 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:40:29 (30092): wrapper (7.9.26016): starting
03:40:29 (30092): 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
03:40:30 (30092): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:40:30 (30092): 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\16\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\16\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
06:49:14 (30092): C:/Windows/system32/cmd.exe exited; CPU time 11135.140625
06:49:14 (30092): 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: 256029855 bytes.
Dumping objects ->
{3835281} normal block at 0x000002192B10BD70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000002192B10BF30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000002192B10BA60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x00000219294D2D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000219294D2C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x000002192B156FA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000002192B16CCD0, 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) : {3835192} normal block at 0x00000219294CEB90, 8 bytes long.
 Data: <  &#164;)    > 00 00 A4 29 19 02 00 00 
{3834568} normal block at 0x000002192B16CEE0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000219294CE4B0, 8 bytes long.
 Data: <&#240;&#219;K)    > F0 DB 4B 29 19 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000219294C6140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000219294C7A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000219294D40A0, 16 bytes long.
 Data: <&#184;JM)            > B8 4A 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000219294D40F0, 16 bytes long.
 Data: < JM)            > 90 4A 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000219294CED60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000219294D3E20, 16 bytes long.
 Data: <hJM)            > 68 4A 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000219294D3C90, 16 bytes long.
 Data: <@JM)            > 40 4A 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000219294D3A60, 16 bytes long.
 Data: < JM)            > 18 4A 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000219294D4050, 16 bytes long.
 Data: <&#240;IM)            > F0 49 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000219294D2F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000219294D39C0, 16 bytes long.
 Data: < &#243;K)            > 08 F3 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000219294CF1E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000219294D3970, 16 bytes long.
 Data: <&#224;&#242;K)            > E0 F2 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000219294D4320, 16 bytes long.
 Data: <&#184;&#242;K)            > B8 F2 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000219294D3FB0, 16 bytes long.
 Data: < &#242;K)            > 90 F2 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000219294D3C40, 16 bytes long.
 Data: <h&#242;K)            > 68 F2 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000219294D3790, 16 bytes long.
 Data: <@&#242;K)            > 40 F2 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000219294D3470, 16 bytes long.
 Data: < &#242;K)            > 18 F2 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000219294CF660, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000219294D3920, 16 bytes long.
 Data: <&#240;&#241;K)            > F0 F1 4B 29 19 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000219294BF1F0, 320 bytes long.
 Data: < 9M)    `&#246;L)    > 20 39 4D 29 19 02 00 00 60 F6 4C 29 19 02 00 00 
{277} normal block at 0x00000219294D3510, 16 bytes long.
 Data: <&#208;IM)            > D0 49 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000219294D3830, 16 bytes long.
 Data: <&#168;IM)            > A8 49 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000219294CFB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000219294D3740, 16 bytes long.
 Data: < IM)            > 80 49 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000219294CF600, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000219294D3F60, 16 bytes long.
 Data: <&#200;HM)            > C8 48 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000219294D4140, 16 bytes long.
 Data: <&#160;HM)            > A0 48 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000219294D41E0, 16 bytes long.
 Data: <xHM)            > 78 48 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000219294D3F10, 16 bytes long.
 Data: <PHM)            > 50 48 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000219294D3EC0, 16 bytes long.
 Data: <(HM)            > 28 48 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000219294D38D0, 16 bytes long.
 Data: < HM)            > 00 48 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000219294D3BF0, 16 bytes long.
 Data: <&#240;-M)            > F0 2D 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000219294D2DF0, 40 bytes long.
 Data: <&#240;;M)    &#160;o +    > F0 3B 4D 29 19 02 00 00 A0 6F 15 2B 19 02 00 00 
{263} normal block at 0x00000219294D3880, 16 bytes long.
 Data: <&#224;GM)            > E0 47 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000219294D36F0, 16 bytes long.
 Data: <&#184;GM)            > B8 47 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000219294CF4E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000219294D37E0, 16 bytes long.
 Data: < GM)            > 90 47 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000219294D4790, 992 bytes long.
 Data: <&#224;7M)    &#224;&#244;L)    > E0 37 4D 29 19 02 00 00 E0 F4 4C 29 19 02 00 00 
{95} normal block at 0x00000219294CF180, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000219294CDDD0, 16 bytes long.
 Data: < -M)            > 80 2D 4D 29 19 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000219294D2D80, 40 bytes long.
 Data: <&#208;&#221;L)     &#241;L)    > D0 DD 4C 29 19 02 00 00 80 F1 4C 29 19 02 00 00 
{72} normal block at 0x00000219294CE460, 16 bytes long.
 Data: < &#234; i&#246;           > 80 EA 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000219294CDF60, 16 bytes long.
 Data: <@&#233; i&#246;           > 40 E9 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000219294CE6E0, 16 bytes long.
 Data: <&#248;W&#254;h&#246;           > F8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000219294CE140, 16 bytes long.
 Data: <&#216;W&#254;h&#246;           > D8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000219294CEA00, 16 bytes long.
 Data: <P &#254;h&#246;           > 50 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000219294CE960, 16 bytes long.
 Data: <0 &#254;h&#246;           > 30 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000219294CDF10, 16 bytes long.
 Data: <&#224; &#254;h&#246;           > E0 02 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000219294CDEC0, 16 bytes long.
 Data: <  &#254;h&#246;           > 10 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000219294CE190, 16 bytes long.
 Data: <p &#254;h&#246;           > 70 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000219294CDE70, 16 bytes long.
 Data: < &#192;&#252;h&#246;           > 18 C0 FC 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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