Task 38682460

Name test_133-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5151_0
Workunit 31624074
Created 27 Oct 2026, 7:51:33 UTC
Sent 27 Oct 2026, 7:51:34 UTC
Report deadline 1 Nov 2026, 7:51:34 UTC
Received 27 Oct 2026, 9:00:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637325
Run time 1 hours 8 min 46 sec
CPU time 1 hours 3 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 872.62 MB
Peak swap size 2.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:53:34 (4668): wrapper (7.9.26016): starting
09:53:34 (4668): 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
09:53:36 (4668): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:53:36 (4668): 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\4\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\4\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
11:00:36 (4668): C:/Windows/system32/cmd.exe exited; CPU time 3814.125000
11:00:36 (4668): 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: 48298045 bytes.
Dumping objects ->
{3835194} normal block at 0x000002C97B680AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000002C97B681170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000002C97B6815D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000002C97B681330, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000002C97B681480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000002C97B7AB3A0, 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) : {3835106} normal block at 0x000002C979D05530, 8 bytes long.
 Data: <  &#202;y&#201;   > 00 00 CA 79 C9 02 00 00 
{3833949} normal block at 0x000002C979D057B0, 8 bytes long.
 Data: <  &#137;{&#201;   > 80 80 89 7B C9 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002C979D10C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C979D11BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002C979D12C10, 16 bytes long.
 Data: <X1&#209;y&#201;           > 58 31 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C979D12350, 16 bytes long.
 Data: <01&#209;y&#201;           > 30 31 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C979D0B820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002C979D12BC0, 16 bytes long.
 Data: < 1&#209;y&#201;           > 08 31 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C979D12B70, 16 bytes long.
 Data: <&#224;0&#209;y&#201;           > E0 30 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C979D11F40, 16 bytes long.
 Data: <&#184;0&#209;y&#201;           > B8 30 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C979D12B20, 16 bytes long.
 Data: < 0&#209;y&#201;           > 90 30 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C979D0A810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002C979D12A80, 16 bytes long.
 Data: <X &#209;y&#201;           > 58 1B D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C979D0C480, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002C979D12A30, 16 bytes long.
 Data: <0 &#209;y&#201;           > 30 1B D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C979D12710, 16 bytes long.
 Data: <  &#209;y&#201;           > 08 1B D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C979D11EF0, 16 bytes long.
 Data: <&#224; &#209;y&#201;           > E0 1A D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C979D11EA0, 16 bytes long.
 Data: <&#184; &#209;y&#201;           > B8 1A D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C979D126C0, 16 bytes long.
 Data: <  &#209;y&#201;           > 90 1A D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C979D12030, 16 bytes long.
 Data: <h &#209;y&#201;           > 68 1A D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002C979D0B7C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002C979D11F90, 16 bytes long.
 Data: <@ &#209;y&#201;           > 40 1A D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C979D11A40, 320 bytes long.
 Data: <  &#209;y&#201;   &#192;&#183;&#208;y&#201;   > 90 1F D1 79 C9 02 00 00 C0 B7 D0 79 C9 02 00 00 
{270} normal block at 0x000002C979D12940, 16 bytes long.
 Data: <p0&#209;y&#201;           > 70 30 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C979D129E0, 16 bytes long.
 Data: <H0&#209;y&#201;           > 48 30 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C979D0C3C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002C979D12AD0, 16 bytes long.
 Data: < 0&#209;y&#201;           > 20 30 D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C979D0B760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002C979D12670, 16 bytes long.
 Data: <h/&#209;y&#201;           > 68 2F D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C979D12580, 16 bytes long.
 Data: <@/&#209;y&#201;           > 40 2F D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C979D12990, 16 bytes long.
 Data: < /&#209;y&#201;           > 18 2F D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C979D11D60, 16 bytes long.
 Data: <&#240;.&#209;y&#201;           > F0 2E D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C979D127B0, 16 bytes long.
 Data: <&#200;.&#209;y&#201;           > C8 2E D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C979D128A0, 16 bytes long.
 Data: <&#160;.&#209;y&#201;           > A0 2E D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C979D12800, 16 bytes long.
 Data: <p&#165;&#208;y&#201;           > 70 A5 D0 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C979D0A570, 40 bytes long.
 Data: < (&#209;y&#201;   &#160;&#179;z{&#201;   > 00 28 D1 79 C9 02 00 00 A0 B3 7A 7B C9 02 00 00 
{256} normal block at 0x000002C979D11FE0, 16 bytes long.
 Data: < .&#209;y&#201;           > 80 2E D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002C979D12620, 16 bytes long.
 Data: <X.&#209;y&#201;           > 58 2E D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002C979D0B700, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002C979D12530, 16 bytes long.
 Data: <0.&#209;y&#201;           > 30 2E D1 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002C979D12E30, 992 bytes long.
 Data: <0%&#209;y&#201;    &#183;&#208;y&#201;   > 30 25 D1 79 C9 02 00 00 00 B7 D0 79 C9 02 00 00 
{88} normal block at 0x000002C979D0C240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002C979D05440, 16 bytes long.
 Data: <`&#162;&#208;y&#201;           > 60 A2 D0 79 C9 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002C979D0A260, 40 bytes long.
 Data: <@T&#208;y&#201;   @&#194;&#208;y&#201;   > 40 54 D0 79 C9 02 00 00 40 C2 D0 79 C9 02 00 00 
{65} normal block at 0x000002C979D058F0, 16 bytes long.
 Data: < &#234;&#192;j&#247;           > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C979D058A0, 16 bytes long.
 Data: <@&#233;&#192;j&#247;           > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C979D05BC0, 16 bytes long.
 Data: <&#248;W&#189;j&#247;           > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C979D05990, 16 bytes long.
 Data: <&#216;W&#189;j&#247;           > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C979D05C60, 16 bytes long.
 Data: <P &#189;j&#247;           > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C979D05FD0, 16 bytes long.
 Data: <0 &#189;j&#247;           > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C979D061B0, 16 bytes long.
 Data: <&#224; &#189;j&#247;           > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002C979D054E0, 16 bytes long.
 Data: <  &#189;j&#247;           > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002C979D05490, 16 bytes long.
 Data: <p &#189;j&#247;           > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002C979D06110, 16 bytes long.
 Data: < &#192;&#187;j&#247;           > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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