Task 38686926

Name test_920-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1622_0
Workunit 31628335
Created 28 Oct 2026, 5:07:39 UTC
Sent 28 Oct 2026, 5:07:45 UTC
Report deadline 2 Nov 2026, 5:07:45 UTC
Received 28 Oct 2026, 7:00:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 39 min 43 sec
CPU time 37 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.08 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
07:22:19 (6652): wrapper (7.9.26016): starting
07:22:19 (6652): 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
07:22:20 (6652): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:22:20 (6652): 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\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 'C:\ProgramData\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
08:00:33 (6652): C:/Windows/system32/cmd.exe exited; CPU time 2251.515625
08:00:33 (6652): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 39190147 bytes.
Dumping objects ->
{3835240} normal block at 0x000001E6B56E6190, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001E6B56E6120, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001E6B56E60B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000001E6B56E6040, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001E6B56E6430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000001E6B7406DB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001E6B5732E40, 144 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) : {3835151} normal block at 0x000001E6B56DE500, 8 bytes long.
 Data: <  &#190;&#181;&#230;   > 00 00 BE B5 E6 01 00 00 
{3834552} normal block at 0x000001E6B57322E0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001E6B56DE4B0, 8 bytes long.
 Data: < &#214;l&#181;&#230;   > 90 D6 6C B5 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E6B56E0480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E6B56D52B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001E6B56E66D0, 16 bytes long.
 Data: <&#216;yn&#181;&#230;           > D8 79 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6B56E6900, 16 bytes long.
 Data: <&#176;yn&#181;&#230;           > B0 79 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6B56DFBF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001E6B56E6C20, 16 bytes long.
 Data: < yn&#181;&#230;           > 88 79 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E6B56E67C0, 16 bytes long.
 Data: <`yn&#181;&#230;           > 60 79 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6B56E6770, 16 bytes long.
 Data: <8yn&#181;&#230;           > 38 79 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E6B56E7170, 16 bytes long.
 Data: < yn&#181;&#230;           > 10 79 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E6B56E5D30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001E6B56E7210, 16 bytes long.
 Data: <&#248;&#227;l&#181;&#230;           > F8 E3 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E6B56DF830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001E6B56E68B0, 16 bytes long.
 Data: <&#208;&#227;l&#181;&#230;           > D0 E3 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6B56E6A40, 16 bytes long.
 Data: <&#168;&#227;l&#181;&#230;           > A8 E3 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6B56E6630, 16 bytes long.
 Data: < &#227;l&#181;&#230;           > 80 E3 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E6B56E6F90, 16 bytes long.
 Data: <X&#227;l&#181;&#230;           > 58 E3 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6B56E6E50, 16 bytes long.
 Data: <0&#227;l&#181;&#230;           > 30 E3 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E6B56E70D0, 16 bytes long.
 Data: < &#227;l&#181;&#230;           > 08 E3 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E6B56DFB90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001E6B56E7440, 16 bytes long.
 Data: <&#224;&#226;l&#181;&#230;           > E0 E2 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E6B56CE2E0, 320 bytes long.
 Data: <@tn&#181;&#230;    &#251;m&#181;&#230;   > 40 74 6E B5 E6 01 00 00 90 FB 6D B5 E6 01 00 00 
{274} normal block at 0x000001E6B56E6EA0, 16 bytes long.
 Data: <&#240;xn&#181;&#230;           > F0 78 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E6B56E72B0, 16 bytes long.
 Data: <&#200;xn&#181;&#230;           > C8 78 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6B56DF650, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001E6B56E6DB0, 16 bytes long.
 Data: <&#160;xn&#181;&#230;           > A0 78 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6B56DFA10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001E6B56E6F40, 16 bytes long.
 Data: <&#232;wn&#181;&#230;           > E8 77 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6B56E7300, 16 bytes long.
 Data: <&#192;wn&#181;&#230;           > C0 77 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E6B56E6D60, 16 bytes long.
 Data: < wn&#181;&#230;           > 98 77 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E6B56E6BD0, 16 bytes long.
 Data: <pwn&#181;&#230;           > 70 77 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6B56E6B80, 16 bytes long.
 Data: <Hwn&#181;&#230;           > 48 77 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E6B56E6EF0, 16 bytes long.
 Data: < wn&#181;&#230;           > 20 77 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6B56E73F0, 16 bytes long.
 Data: <pbn&#181;&#230;           > 70 62 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E6B56E6270, 40 bytes long.
 Data: <&#240;sn&#181;&#230;   &#176;m@&#183;&#230;   > F0 73 6E B5 E6 01 00 00 B0 6D 40 B7 E6 01 00 00 
{260} normal block at 0x000001E6B56E6B30, 16 bytes long.
 Data: < wn&#181;&#230;           > 00 77 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E6B56E65E0, 16 bytes long.
 Data: <&#216;vn&#181;&#230;           > D8 76 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E6B56DF7D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001E6B56E6540, 16 bytes long.
 Data: <&#176;vn&#181;&#230;           > B0 76 6E B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E6B56E76B0, 992 bytes long.
 Data: <@en&#181;&#230;   &#208;&#247;m&#181;&#230;   > 40 65 6E B5 E6 01 00 00 D0 F7 6D B5 E6 01 00 00 
{92} normal block at 0x000001E6B56DF770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001E6B56DDD30, 16 bytes long.
 Data: < &#238;l&#181;&#230;           > 00 EE 6C B5 E6 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E6B56CEE00, 40 bytes long.
 Data: <0&#221;m&#181;&#230;   p&#247;m&#181;&#230;   > 30 DD 6D B5 E6 01 00 00 70 F7 6D B5 E6 01 00 00 
{69} normal block at 0x000001E6B56DE690, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6B56DE2D0, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6B56DDFB0, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6B56DE8C0, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6B56DEB90, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6B56DE5F0, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E6B56DDDD0, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E6B56DE410, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E6B56DE6E0, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E6B56DE370, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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