Task 38680587

Name test_760-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND0074_0
Workunit 31622301
Created 27 Oct 2026, 0:31:26 UTC
Sent 27 Oct 2026, 0:31:30 UTC
Report deadline 1 Nov 2026, 0:31:30 UTC
Received 27 Oct 2026, 1:59:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 29 min 23 sec
CPU time 27 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.54 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:29:53 (45244): wrapper (7.9.26016): starting
10:29:53 (45244): 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
10:29:54 (45244): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:29:54 (45244): 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\1\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\1\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
10:58:30 (45244): C:/Windows/system32/cmd.exe exited; CPU time 1637.781250
10:58:30 (45244): 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: 39314757 bytes.
Dumping objects ->
{3835380} normal block at 0x00000247BD8410D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x00000247BD840A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x00000247BD840570, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x00000247BD8402D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x00000247BD840C00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x00000247C11B8150, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835292} normal block at 0x00000247BD83DA50, 8 bytes long.
 Data: <  +&#193;G   > 00 00 2B C1 47 02 00 00 
{3834077} normal block at 0x00000247BD83D5F0, 8 bytes long.
 Data: <@;$&#193;G   > 40 3B 24 C1 47 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000247BD82E260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000247BD827010, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000247BD83DF00, 16 bytes long.
 Data: <8&#209; &#189;G           > 38 D1 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000247BD83D910, 16 bytes long.
 Data: < &#209; &#189;G           > 10 D1 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000247BD8364E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000247BD83D780, 16 bytes long.
 Data: < &#208; &#189;G           > E8 D0 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000247BD83DA00, 16 bytes long.
 Data: <&#192;&#208; &#189;G           > C0 D0 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000247BD839230, 16 bytes long.
 Data: < &#208; &#189;G           > 98 D0 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000247BD839190, 16 bytes long.
 Data: <p&#208; &#189;G           > 70 D0 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000247BD838040, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000247BD839140, 16 bytes long.
 Data: <H&#203; &#189;G           > 48 CB 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000247BD836480, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000247BD838BA0, 16 bytes long.
 Data: < &#203; &#189;G           > 20 CB 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000247BD838B50, 16 bytes long.
 Data: < &#202; &#189;G           > F8 CA 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000247BD838C90, 16 bytes long.
 Data: <&#208;&#202; &#189;G           > D0 CA 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000247BD838AB0, 16 bytes long.
 Data: <&#168;&#202; &#189;G           > A8 CA 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000247BD8390F0, 16 bytes long.
 Data: < &#202; &#189;G           > 80 CA 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000247BD838DD0, 16 bytes long.
 Data: <X&#202; &#189;G           > 58 CA 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000247BD835E80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000247BD838A60, 16 bytes long.
 Data: <0&#202; &#189;G           > 30 CA 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000247BD83CA30, 320 bytes long.
 Data: <`  &#189;G    ^ &#189;G   > 60 8A 83 BD 47 02 00 00 80 5E 83 BD 47 02 00 00 
{281} normal block at 0x00000247BD839820, 16 bytes long.
 Data: <P&#208; &#189;G           > 50 D0 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000247BD838A10, 16 bytes long.
 Data: <(&#208; &#189;G           > 28 D0 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000247BD835F40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000247BD839000, 16 bytes long.
 Data: < &#208; &#189;G           > 00 D0 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000247BD836420, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000247BD8390A0, 16 bytes long.
 Data: <H&#207; &#189;G           > 48 CF 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000247BD839050, 16 bytes long.
 Data: < &#207; &#189;G           > 20 CF 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000247BD839730, 16 bytes long.
 Data: < &#206; &#189;G           > F8 CE 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000247BD8394B0, 16 bytes long.
 Data: <&#208;&#206; &#189;G           > D0 CE 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000247BD839690, 16 bytes long.
 Data: <&#168;&#206; &#189;G           > A8 CE 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000247BD839780, 16 bytes long.
 Data: < &#206; &#189;G           > 80 CE 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000247BD838F60, 16 bytes long.
 Data: < ~ &#189;G           > 10 7E 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000247BD837E10, 40 bytes long.
 Data: <`  &#189;G   P  &#193;G   > 60 8F 83 BD 47 02 00 00 50 81 1B C1 47 02 00 00 
{267} normal block at 0x00000247BD839460, 16 bytes long.
 Data: <`&#206; &#189;G           > 60 CE 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000247BD838E70, 16 bytes long.
 Data: <8&#206; &#189;G           > 38 CE 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000247BD835AC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000247BD838D30, 16 bytes long.
 Data: < &#206; &#189;G           > 10 CE 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000247BD83CE10, 992 bytes long.
 Data: <0  &#189;G   &#192;Z &#189;G   > 30 8D 83 BD 47 02 00 00 C0 5A 83 BD 47 02 00 00 
{99} normal block at 0x00000247BD836120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000247BD839320, 16 bytes long.
 Data: <   &#189;G           > E0 82 83 BD 47 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000247BD8382E0, 40 bytes long.
 Data: <   &#189;G    a &#189;G   > 20 93 83 BD 47 02 00 00 20 61 83 BD 47 02 00 00 
{74} normal block at 0x00000247BD839910, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000247BD838CE0, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000247BD839550, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000247BD8389C0, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000247BD838EC0, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000247BD839870, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000247BD82BDD0, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000247BD82BD30, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000247BD82BE20, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000247BD82BCE0, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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