Task 38680086

Name test_459-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND4761_0
Workunit 31621829
Created 26 Oct 2026, 22:46:31 UTC
Sent 26 Oct 2026, 22:46:43 UTC
Report deadline 31 Oct 2026, 22:46:43 UTC
Received 27 Oct 2026, 14:21:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 21 sec
CPU time 30 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.26 MB
Peak swap size 9.94 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:27:29 (44736): wrapper (7.9.26016): starting
22:27:29 (44736): 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
22:27:31 (44736): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:27:31 (44736): 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\slots\18\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\slots\18\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
22:58:08 (44736): C:/Windows/system32/cmd.exe exited; CPU time 1802.750000
22:58:08 (44736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 36098147 bytes.
Dumping objects ->
{3835578} normal block at 0x0000027193325520, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x0000027195346010, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x0000027195345B90, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x0000027195346430, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x0000027195346370, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x0000027193325440, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x000002719337CC80, 140 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) : {3835489} normal block at 0x000002719331F740, 8 bytes long.
 Data: <    q   > 00 00 8B 93 71 02 00 00 
{3834767} normal block at 0x000002719337C7A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x000002719331EAC0, 8 bytes long.
 Data: <&#192;?5 q   > C0 3F 35 95 71 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027193317540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027193317D30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000027193326130, 16 bytes long.
 Data: <&#200;s2 q           > C8 73 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000271933266D0, 16 bytes long.
 Data: < s2 q           > A0 73 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000271933211C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000027193326680, 16 bytes long.
 Data: <xs2 q           > 78 73 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000271933260E0, 16 bytes long.
 Data: <Ps2 q           > 50 73 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027193327030, 16 bytes long.
 Data: <(s2 q           > 28 73 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027193326B30, 16 bytes long.
 Data: < s2 q           > 00 73 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000271933251A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000271933261D0, 16 bytes long.
 Data: <&#216;&#190;0 q           > D8 BE 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000271933217C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000027193326FE0, 16 bytes long.
 Data: <&#176;&#190;0 q           > B0 BE 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027193326EA0, 16 bytes long.
 Data: < &#190;0 q           > 88 BE 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027193326DB0, 16 bytes long.
 Data: <`&#190;0 q           > 60 BE 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027193326590, 16 bytes long.
 Data: <8&#190;0 q           > 38 BE 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027193326D60, 16 bytes long.
 Data: < &#190;0 q           > 10 BE 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027193326CC0, 16 bytes long.
 Data: < &#189;0 q           > E8 BD 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027193320BC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000027193326630, 16 bytes long.
 Data: <&#192;&#189;0 q           > C0 BD 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002719330BDC0, 320 bytes long.
 Data: <0f2 q   &#192; 2 q   > 30 66 32 93 71 02 00 00 C0 0B 32 93 71 02 00 00 
{279} normal block at 0x0000027193326EF0, 16 bytes long.
 Data: < r2 q           > E0 72 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000271933269A0, 16 bytes long.
 Data: <&#184;r2 q           > B8 72 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027193321940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000027193326310, 16 bytes long.
 Data: < r2 q           > 90 72 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027193320F20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000027193326C70, 16 bytes long.
 Data: <&#216;q2 q           > D8 71 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027193326BD0, 16 bytes long.
 Data: <&#176;q2 q           > B0 71 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027193326900, 16 bytes long.
 Data: < q2 q           > 88 71 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027193326E50, 16 bytes long.
 Data: <`q2 q           > 60 71 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027193326400, 16 bytes long.
 Data: <8q2 q           > 38 71 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027193326540, 16 bytes long.
 Data: < q2 q           > 10 71 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000271933265E0, 16 bytes long.
 Data: <&#176;T2 q           > B0 54 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000271933254B0, 40 bytes long.
 Data: < e2 q   @T2 q   > E0 65 32 93 71 02 00 00 40 54 32 93 71 02 00 00 
{265} normal block at 0x00000271933264A0, 16 bytes long.
 Data: < p2 q           > F0 70 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027193326F90, 16 bytes long.
 Data: <&#200;p2 q           > C8 70 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000271933212E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000027193326F40, 16 bytes long.
 Data: < p2 q           > A0 70 32 93 71 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000271933270A0, 992 bytes long.
 Data: <@o2 q     2 q   > 40 6F 32 93 71 02 00 00 E0 12 32 93 71 02 00 00 
{97} normal block at 0x0000027193321280, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002719331F380, 16 bytes long.
 Data: <P 0 q           > 50 F3 30 93 71 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002719330F350, 40 bytes long.
 Data: <  1 q     2 q   > 80 F3 31 93 71 02 00 00 80 12 32 93 71 02 00 00 
{72} normal block at 0x000002719331ED40, 16 bytes long.
 Data: <  &#212;_            > 80 EA D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002719331EA70, 16 bytes long.
 Data: <@ &#212;_            > 40 E9 D4 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002719331F6A0, 16 bytes long.
 Data: < W&#209;_            > F8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002719331F3D0, 16 bytes long.
 Data: <&#216;W&#209;_            > D8 57 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002719331ECF0, 16 bytes long.
 Data: <P &#209;_            > 50 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002719331F6F0, 16 bytes long.
 Data: <0 &#209;_            > 30 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002719331EB10, 16 bytes long.
 Data: <  &#209;_            > E0 02 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002719331EF70, 16 bytes long.
 Data: <  &#209;_            > 10 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002719331F600, 16 bytes long.
 Data: <p &#209;_            > 70 04 D1 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002719331F1F0, 16 bytes long.
 Data: < &#192;&#207;_            > 18 C0 CF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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