Task 38685723

Name test_459-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4761_1
Workunit 31627151
Created 27 Oct 2026, 22:32:28 UTC
Sent 27 Oct 2026, 22:32:34 UTC
Report deadline 1 Nov 2026, 22:32:34 UTC
Received 28 Oct 2026, 3:40:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628119
Run time 35 min 19 sec
CPU time 32 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.07 MB
Peak swap size 12.95 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:03:35 (52180): wrapper (7.9.26016): starting
22:03:35 (52180): 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
22:03:45 (52180): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:03:45 (52180): 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\36\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\36\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
22:36:55 (52180): C:/Windows/system32/cmd.exe exited; CPU time 1948.984375
22:36:55 (52180): 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: 55274549 bytes.
Dumping objects ->
{3835488} normal block at 0x000002566F4CEDD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x000002566F4CE5F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x000002566F4CE890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835455} normal block at 0x000002566D6C5AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x000002566D6C5900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835413} normal block at 0x000002566F519990, 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) : {3835400} normal block at 0x000002566D6C0E10, 8 bytes long.
 Data: <  &#212;mV   > 00 00 D4 6D 56 02 00 00 
{3833967} normal block at 0x000002566D6C0460, 8 bytes long.
 Data: <0MZoV   > 30 4D 5A 6F 56 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002566D6C2BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002566D6B6FB0, 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 0x000002566D6C6EE0, 16 bytes long.
 Data: <8vlmV           > 38 76 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002566D6C7160, 16 bytes long.
 Data: < vlmV           > 10 76 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002566D6BE2E0, 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 0x000002566D6C6670, 16 bytes long.
 Data: <&#232;ulmV           > E8 75 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002566D6C7110, 16 bytes long.
 Data: <&#192;ulmV           > C0 75 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002566D6C6D00, 16 bytes long.
 Data: < ulmV           > 98 75 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002566D6C6E40, 16 bytes long.
 Data: <pulmV           > 70 75 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002566D6C5BA0, 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 0x000002566D6C6620, 16 bytes long.
 Data: <&#232;&#251;jmV           > E8 FB 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002566D6BE340, 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 0x000002566D6C6DA0, 16 bytes long.
 Data: <&#192;&#251;jmV           > C0 FB 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002566D6C6F80, 16 bytes long.
 Data: < &#251;jmV           > 98 FB 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002566D6C6C60, 16 bytes long.
 Data: <p&#251;jmV           > 70 FB 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002566D6C6580, 16 bytes long.
 Data: <H&#251;jmV           > 48 FB 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002566D6C6CB0, 16 bytes long.
 Data: < &#251;jmV           > 20 FB 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002566D6C6DF0, 16 bytes long.
 Data: <&#248;&#250;jmV           > F8 FA 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002566D6BE7C0, 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 0x000002566D6C70C0, 16 bytes long.
 Data: <&#208;&#250;jmV           > D0 FA 6A 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002566D6AFAD0, 320 bytes long.
 Data: <&#192;plmV   &#192;&#231;kmV   > C0 70 6C 6D 56 02 00 00 C0 E7 6B 6D 56 02 00 00 
{279} normal block at 0x000002566D6C6E90, 16 bytes long.
 Data: <PulmV           > 50 75 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002566D6C7250, 16 bytes long.
 Data: <(ulmV           > 28 75 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002566D6BE760, 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 0x000002566D6C6A80, 16 bytes long.
 Data: < ulmV           > 00 75 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002566D6BEA00, 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 0x000002566D6C6530, 16 bytes long.
 Data: <HtlmV           > 48 74 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002566D6C6760, 16 bytes long.
 Data: < tlmV           > 20 74 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002566D6C6990, 16 bytes long.
 Data: <&#248;slmV           > F8 73 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002566D6C6B20, 16 bytes long.
 Data: <&#208;slmV           > D0 73 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002566D6C6AD0, 16 bytes long.
 Data: <&#168;slmV           > A8 73 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002566D6C6490, 16 bytes long.
 Data: < slmV           > 80 73 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002566D6C65D0, 16 bytes long.
 Data: <`]lmV           > 60 5D 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002566D6C5D60, 40 bytes long.
 Data: <&#208;elmV     QoV   > D0 65 6C 6D 56 02 00 00 90 99 51 6F 56 02 00 00 
{265} normal block at 0x000002566D6C7200, 16 bytes long.
 Data: <`slmV           > 60 73 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002566D6C7020, 16 bytes long.
 Data: <8slmV           > 38 73 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002566D6BE700, 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 0x000002566D6C6FD0, 16 bytes long.
 Data: < slmV           > 10 73 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002566D6C7310, 992 bytes long.
 Data: <&#208;olmV    &#231;kmV   > D0 6F 6C 6D 56 02 00 00 00 E7 6B 6D 56 02 00 00 
{97} normal block at 0x000002566D6BE640, 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 0x000002566D6C0D70, 16 bytes long.
 Data: <0[lmV           > 30 5B 6C 6D 56 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002566D6C5B30, 40 bytes long.
 Data: <p lmV   @&#230;kmV   > 70 0D 6C 6D 56 02 00 00 40 E6 6B 6D 56 02 00 00 
{74} normal block at 0x000002566D6C0B40, 16 bytes long.
 Data: < &#234;&#195;&#150;&#247;           > 80 EA C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002566D6C0140, 16 bytes long.
 Data: <@&#233;&#195;&#150;&#247;           > 40 E9 C3 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002566D6C0A00, 16 bytes long.
 Data: <&#248;W&#192;&#150;&#247;           > F8 57 C0 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002566D6C0D20, 16 bytes long.
 Data: <&#216;W&#192;&#150;&#247;           > D8 57 C0 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002566D6C00A0, 16 bytes long.
 Data: <P &#192;&#150;&#247;           > 50 04 C0 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002566D6C0EB0, 16 bytes long.
 Data: <0 &#192;&#150;&#247;           > 30 04 C0 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002566D6C0CD0, 16 bytes long.
 Data: <&#224; &#192;&#150;&#247;           > E0 02 C0 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002566D6C0F00, 16 bytes long.
 Data: <  &#192;&#150;&#247;           > 10 04 C0 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002566D6C01E0, 16 bytes long.
 Data: <p &#192;&#150;&#247;           > 70 04 C0 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002566D6C0050, 16 bytes long.
 Data: < &#192;&#190;&#150;&#247;           > 18 C0 BE 96 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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