Task 38666635

Name test_769-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND0276_2
Workunit 31608535
Created 25 Oct 2026, 4:10:32 UTC
Sent 25 Oct 2026, 4:57:01 UTC
Report deadline 30 Oct 2026, 4:57:01 UTC
Received 25 Oct 2026, 6:11:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652906
Run time 33 min 7 sec
CPU time 31 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.92 MB
Peak swap size 8.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:37:37 (3824): wrapper (7.9.26016): starting
01:37:37 (3824): 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
01:37:38 (3824): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:37:38 (3824): 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\0\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\0\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
02:10:19 (3824): C:/Windows/system32/cmd.exe exited; CPU time 1913.718750
02:10:19 (3824): 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: 42181139 bytes.
Dumping objects ->
{3835247} normal block at 0x0000026AD65CD040, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000026AD65CD4A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000026AD65CD900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x0000026AD4367DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000026AD4368100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x0000026AD64F58A0, 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) : {3835159} normal block at 0x0000026AD43603B0, 8 bytes long.
 Data: <  .&#212;j   > 00 00 2E D4 6A 02 00 00 
{3833953} normal block at 0x0000026AD435F9B0, 8 bytes long.
 Data: < &#194;\&#214;j   > 10 C2 5C D6 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026AD436DB10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026AD434F280, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000026AD436CE90, 16 bytes long.
 Data: <H&#215;6&#212;j           > 48 D7 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026AD436CD00, 16 bytes long.
 Data: < &#215;6&#212;j           > 20 D7 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026AD43621A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000026AD436CBC0, 16 bytes long.
 Data: <&#248;&#214;6&#212;j           > F8 D6 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026AD436D020, 16 bytes long.
 Data: <&#208;&#214;6&#212;j           > D0 D6 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026AD436D160, 16 bytes long.
 Data: <&#168;&#214;6&#212;j           > A8 D6 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026AD436CA30, 16 bytes long.
 Data: < &#214;6&#212;j           > 80 D6 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026AD43681E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000026AD436C300, 16 bytes long.
 Data: < 	6&#212;j           > 98 09 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026AD43628C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000026AD436CCB0, 16 bytes long.
 Data: <p	6&#212;j           > 70 09 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026AD436D070, 16 bytes long.
 Data: <H	6&#212;j           > 48 09 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026AD436CA80, 16 bytes long.
 Data: < 	6&#212;j           > 20 09 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026AD436D110, 16 bytes long.
 Data: <&#248; 6&#212;j           > F8 08 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026AD436C9E0, 16 bytes long.
 Data: <&#208; 6&#212;j           > D0 08 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026AD436CE40, 16 bytes long.
 Data: <&#168; 6&#212;j           > A8 08 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026AD4362860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000026AD436C990, 16 bytes long.
 Data: <  6&#212;j           > 80 08 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026AD4360880, 320 bytes long.
 Data: < &#201;6&#212;j   `(6&#212;j   > 90 C9 36 D4 6A 02 00 00 60 28 36 D4 6A 02 00 00 
{272} normal block at 0x0000026AD436C670, 16 bytes long.
 Data: <`&#214;6&#212;j           > 60 D6 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026AD436CC10, 16 bytes long.
 Data: <8&#214;6&#212;j           > 38 D6 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026AD43622C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000026AD436CFD0, 16 bytes long.
 Data: < &#214;6&#212;j           > 10 D6 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026AD4362260, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000026AD436C8A0, 16 bytes long.
 Data: <X&#213;6&#212;j           > 58 D5 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026AD436CDF0, 16 bytes long.
 Data: <0&#213;6&#212;j           > 30 D5 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026AD436C710, 16 bytes long.
 Data: < &#213;6&#212;j           > 08 D5 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026AD436C6C0, 16 bytes long.
 Data: <&#224;&#212;6&#212;j           > E0 D4 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026AD436C620, 16 bytes long.
 Data: <&#184;&#212;6&#212;j           > B8 D4 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026AD436CB70, 16 bytes long.
 Data: < &#212;6&#212;j           > 90 D4 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026AD436C850, 16 bytes long.
 Data: <`~6&#212;j           > 60 7E 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026AD4367E60, 40 bytes long.
 Data: <P&#200;6&#212;j   &#160;XO&#214;j   > 50 C8 36 D4 6A 02 00 00 A0 58 4F D6 6A 02 00 00 
{258} normal block at 0x0000026AD436C7B0, 16 bytes long.
 Data: <p&#212;6&#212;j           > 70 D4 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026AD436CDA0, 16 bytes long.
 Data: <H&#212;6&#212;j           > 48 D4 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026AD4362200, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000026AD436C3F0, 16 bytes long.
 Data: < &#212;6&#212;j           > 20 D4 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000026AD436D420, 992 bytes long.
 Data: <&#240;&#195;6&#212;j    "6&#212;j   > F0 C3 36 D4 6A 02 00 00 00 22 36 D4 6A 02 00 00 
{90} normal block at 0x0000026AD4361F00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000026AD4360310, 16 bytes long.
 Data: < }6&#212;j           > 10 7D 36 D4 6A 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000026AD4367D10, 40 bytes long.
 Data: <  6&#212;j     6&#212;j   > 10 03 36 D4 6A 02 00 00 00 1F 36 D4 6A 02 00 00 
{67} normal block at 0x0000026AD4360040, 16 bytes long.
 Data: < &#234;&#169;&#146;&#247;           > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026AD4360810, 16 bytes long.
 Data: <@&#233;&#169;&#146;&#247;           > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026AD435FDC0, 16 bytes long.
 Data: <&#248;W&#166;&#146;&#247;           > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026AD435FD20, 16 bytes long.
 Data: <&#216;W&#166;&#146;&#247;           > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026AD43607C0, 16 bytes long.
 Data: <P &#166;&#146;&#247;           > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026AD4360130, 16 bytes long.
 Data: <0 &#166;&#146;&#247;           > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026AD435FFF0, 16 bytes long.
 Data: <&#224; &#166;&#146;&#247;           > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026AD435FCD0, 16 bytes long.
 Data: <  &#166;&#146;&#247;           > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026AD4360680, 16 bytes long.
 Data: <p &#166;&#146;&#247;           > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000026AD43601D0, 16 bytes long.
 Data: < &#192;&#164;&#146;&#247;           > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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