Task 38685793

Name test_210-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6959_0
Workunit 31627250
Created 27 Oct 2026, 23:00:09 UTC
Sent 27 Oct 2026, 23:00:16 UTC
Report deadline 1 Nov 2026, 23:00:16 UTC
Received 27 Oct 2026, 23:35:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559474
Run time 34 min 12 sec
CPU time 29 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.32 MB
Peak swap size 6.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:02:27 (876): wrapper (7.9.26016): starting
16:02:27 (876): 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
16:02:29 (876): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:02:29 (876): 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 'E:\ProgramData\BOINC\slots\17\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 'E:\ProgramData\BOINC\slots\17\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
16:35:00 (876): C:/Windows/system32/cmd.exe exited; CPU time 1799.703125
16:35:00 (876): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 38743697 bytes.
Dumping objects ->
{3835207} normal block at 0x0000016C64C20990, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000016C64C214F0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000016C64C20BC0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x0000016C64C212C0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000016C64C208B0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x0000016C64CCBDC0, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835119} normal block at 0x0000016C63156900, 8 bytes long.
 Data: <   cl   > 00 00 0F 63 6C 01 00 00 
{3833955} normal block at 0x0000016C63156C70, 8 bytes long.
 Data: <&#240;F&#222;dl   > F0 46 DE 64 6C 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000016C63160020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016C63160F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000016C63161AB0, 16 bytes long.
 Data: <X7 cl           > 58 37 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016C631619C0, 16 bytes long.
 Data: <07 cl           > 30 37 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016C6315D120, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000016C63161B50, 16 bytes long.
 Data: < 7 cl           > 08 37 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016C63161C90, 16 bytes long.
 Data: <&#224;6 cl           > E0 36 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016C63161970, 16 bytes long.
 Data: <&#184;6 cl           > B8 36 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016C63161A10, 16 bytes long.
 Data: < 6 cl           > 90 36 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016C6315B720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000016C63161920, 16 bytes long.
 Data: <&#248;  cl           > F8 0E 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016C6315CB20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000016C63161740, 16 bytes long.
 Data: <&#208;  cl           > D0 0E 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016C631618D0, 16 bytes long.
 Data: <&#168;  cl           > A8 0E 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016C631616F0, 16 bytes long.
 Data: <   cl           > 80 0E 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016C63161880, 16 bytes long.
 Data: <X  cl           > 58 0E 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016C63161DD0, 16 bytes long.
 Data: <0  cl           > 30 0E 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016C631610B0, 16 bytes long.
 Data: <   cl           > 08 0E 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016C6315D6C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000016C63161A60, 16 bytes long.
 Data: <&#224;  cl           > E0 0D 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016C63160DE0, 320 bytes long.
 Data: <`  cl   &#192;&#214; cl   > 60 1A 16 63 6C 01 00 00 C0 D6 15 63 6C 01 00 00 
{273} normal block at 0x0000016C63161FB0, 16 bytes long.
 Data: <p6 cl           > 70 36 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016C63161470, 16 bytes long.
 Data: <H6 cl           > 48 36 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016C6315D600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000016C63161420, 16 bytes long.
 Data: < 6 cl           > 20 36 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016C6315D660, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000016C63161330, 16 bytes long.
 Data: <h5 cl           > 68 35 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016C631614C0, 16 bytes long.
 Data: <@5 cl           > 40 35 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016C63161830, 16 bytes long.
 Data: < 5 cl           > 18 35 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016C63161380, 16 bytes long.
 Data: <&#240;4 cl           > F0 34 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016C631611A0, 16 bytes long.
 Data: <&#200;4 cl           > C8 34 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016C63161F60, 16 bytes long.
 Data: <&#160;4 cl           > A0 34 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016C631616A0, 16 bytes long.
 Data: <@&#182; cl           > 40 B6 15 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016C6315B640, 40 bytes long.
 Data: <&#160;  cl   &#192;&#189;&#204;dl   > A0 16 16 63 6C 01 00 00 C0 BD CC 64 6C 01 00 00 
{259} normal block at 0x0000016C63161790, 16 bytes long.
 Data: < 4 cl           > 80 34 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016C63161240, 16 bytes long.
 Data: <X4 cl           > 58 34 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016C6315CA60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000016C63161650, 16 bytes long.
 Data: <04 cl           > 30 34 16 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016C63163430, 992 bytes long.
 Data: <P  cl   `&#202; cl   > 50 16 16 63 6C 01 00 00 60 CA 15 63 6C 01 00 00 
{91} normal block at 0x0000016C6315CFA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000016C63156F40, 16 bytes long.
 Data: <`&#181; cl           > 60 B5 15 63 6C 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000016C6315B560, 40 bytes long.
 Data: <@o cl   &#160;&#207; cl   > 40 6F 15 63 6C 01 00 00 A0 CF 15 63 6C 01 00 00 
{68} normal block at 0x0000016C63156FE0, 16 bytes long.
 Data: < &#234;&#222;y&#246;           > 80 EA DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016C63156C20, 16 bytes long.
 Data: <@&#233;&#222;y&#246;           > 40 E9 DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016C631573A0, 16 bytes long.
 Data: <&#248;W&#219;y&#246;           > F8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016C631568B0, 16 bytes long.
 Data: <&#216;W&#219;y&#246;           > D8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016C63157260, 16 bytes long.
 Data: <P &#219;y&#246;           > 50 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016C63156AE0, 16 bytes long.
 Data: <0 &#219;y&#246;           > 30 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016C63156BD0, 16 bytes long.
 Data: <&#224; &#219;y&#246;           > E0 02 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016C63156860, 16 bytes long.
 Data: <  &#219;y&#246;           > 10 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016C631567C0, 16 bytes long.
 Data: <p &#219;y&#246;           > 70 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016C631569F0, 16 bytes long.
 Data: < &#192;&#217;y&#246;           > 18 C0 D9 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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