Task 38694866

Name test_421-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3094_0
Workunit 31635595
Created 31 Oct 2026, 3:15:26 UTC
Sent 31 Oct 2026, 3:15:33 UTC
Report deadline 5 Nov 2026, 3:15:33 UTC
Received 31 Oct 2026, 5:54:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654967
Run time 53 min 16 sec
CPU time 52 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 663.35 MB
Peak swap size 6.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
05:00:44 (9964): wrapper (7.9.26016): starting
05:00:44 (9964): 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
05:00:45 (9964): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:00:45 (9964): 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:\ProgramData\BOINC\slots\0\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:\ProgramData\BOINC\slots\0\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
05:53:23 (9964): C:/Windows/system32/cmd.exe exited; CPU time 3151.203125
05:53:23 (9964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 36893595 bytes.
Dumping objects ->
{3835313} normal block at 0x0000026091C2A870, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835302} normal block at 0x0000026091C2ABF0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x0000026091C2A790, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835280} normal block at 0x000002609013CCE0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000002609013CC70, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835238} normal block at 0x0000026091C738A0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000026090139D90, 200 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) : {3835224} normal block at 0x0000026090138610, 8 bytes long.
 Data: <    `   > 00 00 0E 90 60 02 00 00 
{3834581} normal block at 0x000002609013B0B0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000260901388E0, 8 bytes long.
 Data: <  &#205;&#145;`   > 90 13 CD 91 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000026090141DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002609012DE30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000026090143AC0, 16 bytes long.
 Data: <&#168;>  `           > A8 3E 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026090143A70, 16 bytes long.
 Data: < >  `           > 80 3E 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002609013E600, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000260901439D0, 16 bytes long.
 Data: <X>  `           > 58 3E 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026090143890, 16 bytes long.
 Data: <0>  `           > 30 3E 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026090143840, 16 bytes long.
 Data: < >  `           > 08 3E 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000260901437F0, 16 bytes long.
 Data: <&#224;=  `           > E0 3D 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002609013CD50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000260901432A0, 16 bytes long.
 Data: <&#232;&#213;  `           > E8 D5 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002609013E8A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000026090143250, 16 bytes long.
 Data: <&#192;&#213;  `           > C0 D5 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026090143750, 16 bytes long.
 Data: < &#213;  `           > 98 D5 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000260901436B0, 16 bytes long.
 Data: <p&#213;  `           > 70 D5 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026090143660, 16 bytes long.
 Data: <H&#213;  `           > 48 D5 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026090143020, 16 bytes long.
 Data: < &#213;  `           > 20 D5 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026090143980, 16 bytes long.
 Data: <&#248;&#212;  `           > F8 D4 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002609013EF00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000026090143430, 16 bytes long.
 Data: <&#208;&#212;  `           > D0 D4 12 90 60 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002609012D4D0, 320 bytes long.
 Data: <04  `    &#239;  `   > 30 34 14 90 60 02 00 00 00 EF 13 90 60 02 00 00 
{269} normal block at 0x0000026090142DF0, 16 bytes long.
 Data: <&#192;=  `           > C0 3D 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026090142E90, 16 bytes long.
 Data: < =  `           > 98 3D 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002609013E000, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000260901431B0, 16 bytes long.
 Data: <p=  `           > 70 3D 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002609013EBA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000026090143700, 16 bytes long.
 Data: <&#184;<  `           > B8 3C 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026090143200, 16 bytes long.
 Data: < <  `           > 90 3C 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026090143610, 16 bytes long.
 Data: <h<  `           > 68 3C 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026090143930, 16 bytes long.
 Data: <@<  `           > 40 3C 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026090142FD0, 16 bytes long.
 Data: < <  `           > 18 3C 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026090143340, 16 bytes long.
 Data: <&#240;;  `           > F0 3B 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000260901435C0, 16 bytes long.
 Data: < &#203;  `           > 20 CB 13 90 60 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002609013CB20, 40 bytes long.
 Data: <&#192;5  `   &#160;8&#199;&#145;`   > C0 35 14 90 60 02 00 00 A0 38 C7 91 60 02 00 00 
{255} normal block at 0x0000026090143570, 16 bytes long.
 Data: <&#208;;  `           > D0 3B 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000260901438E0, 16 bytes long.
 Data: <&#168;;  `           > A8 3B 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002609013E300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000026090143480, 16 bytes long.
 Data: < ;  `           > 80 3B 14 90 60 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000026090143B80, 992 bytes long.
 Data: < 4  `    &#227;  `   > 80 34 14 90 60 02 00 00 00 E3 13 90 60 02 00 00 
{87} normal block at 0x000002609013E2A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000026090137E90, 16 bytes long.
 Data: < &#207;  `           > 80 CF 13 90 60 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002609013CF80, 40 bytes long.
 Data: < ~  `   &#160;&#226;  `   > 90 7E 13 90 60 02 00 00 A0 E2 13 90 60 02 00 00 
{64} normal block at 0x0000026090138520, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000260901387A0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000260901389D0, 16 bytes long.
 Data: <&#248;W&#254; &#247;           > F8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000260901383E0, 16 bytes long.
 Data: <&#216;W&#254; &#247;           > D8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000260901380C0, 16 bytes long.
 Data: <P &#254; &#247;           > 50 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026090138890, 16 bytes long.
 Data: <0 &#254; &#247;           > 30 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026090138980, 16 bytes long.
 Data: <&#224; &#254; &#247;           > E0 02 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000026090138A70, 16 bytes long.
 Data: <  &#254; &#247;           > 10 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000026090137C60, 16 bytes long.
 Data: <p &#254; &#247;           > 70 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000260901382A0, 16 bytes long.
 Data: < &#192;&#252; &#247;           > 18 C0 FC 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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