Task 38688614

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1008_0
Workunit 31629944
Created 28 Oct 2026, 15:06:11 UTC
Sent 28 Oct 2026, 15:06:18 UTC
Report deadline 2 Nov 2026, 15:06:18 UTC
Received 28 Oct 2026, 17:11:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 1 min 42 sec
CPU time 57 min 2 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 663.26 MB
Peak swap size 2.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:11:02 (28320): wrapper (7.9.26016): starting
18:11:02 (28320): 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
18:11:04 (28320): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:11:04 (28320): 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\3\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\3\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
19:10:43 (28320): C:/Windows/system32/cmd.exe exited; CPU time 3422.156250
19:10:43 (28320): 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: 54181057 bytes.
Dumping objects ->
{3835257} normal block at 0x00000248729D0A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000248729D1170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000248729D11E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x00000248729D1100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x00000248729D13A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x0000024872AC5330, 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) : {3835169} normal block at 0x0000024871056F20, 8 bytes long.
 Data: <  &#253;pH   > 00 00 FD 70 48 02 00 00 
{3833951} normal block at 0x0000024871057970, 8 bytes long.
 Data: <p&#210;&#173;rH   > 70 D2 AD 72 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000024871061B50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024871046740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000248710635E0, 16 bytes long.
 Data: < A qH           > 88 41 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024871063590, 16 bytes long.
 Data: <`A qH           > 60 41 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002487105C450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000024871062F00, 16 bytes long.
 Data: <8A qH           > 38 41 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024871063810, 16 bytes long.
 Data: < A qH           > 10 41 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000248710630E0, 16 bytes long.
 Data: <&#232;@ qH           > E8 40 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024871063540, 16 bytes long.
 Data: <&#192;@ qH           > C0 40 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002487105DBB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000024871062EB0, 16 bytes long.
 Data: < &#210; qH           > 88 D2 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002487105C570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000248710634F0, 16 bytes long.
 Data: <`&#210; qH           > 60 D2 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024871062AF0, 16 bytes long.
 Data: <8&#210; qH           > 38 D2 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024871063090, 16 bytes long.
 Data: < &#210; qH           > 10 D2 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024871063630, 16 bytes long.
 Data: <&#232;&#209; qH           > E8 D1 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024871062FF0, 16 bytes long.
 Data: <&#192;&#209; qH           > C0 D1 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024871062D70, 16 bytes long.
 Data: < &#209; qH           > 98 D1 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002487105C2D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000024871063720, 16 bytes long.
 Data: <p&#209; qH           > 70 D1 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002487105D170, 320 bytes long.
 Data: < 7 qH   &#208;&#194; qH   > 20 37 06 71 48 02 00 00 D0 C2 05 71 48 02 00 00 
{271} normal block at 0x0000024871062DC0, 16 bytes long.
 Data: <&#160;@ qH           > A0 40 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000248710639F0, 16 bytes long.
 Data: <x@ qH           > 78 40 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002487105C3F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000248710634A0, 16 bytes long.
 Data: <P@ qH           > 50 40 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002487105C0F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000024871063310, 16 bytes long.
 Data: < ? qH           > 98 3F 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024871062B90, 16 bytes long.
 Data: <p? qH           > 70 3F 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024871063450, 16 bytes long.
 Data: <H? qH           > 48 3F 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000248710631D0, 16 bytes long.
 Data: < ? qH           > 20 3F 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024871062E60, 16 bytes long.
 Data: <&#248;> qH           > F8 3E 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024871062E10, 16 bytes long.
 Data: <&#208;> qH           > D0 3E 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024871062D20, 16 bytes long.
 Data: <@&#219; qH           > 40 DB 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002487105DB40, 40 bytes long.
 Data: < - qH   0S&#172;rH   > 20 2D 06 71 48 02 00 00 30 53 AC 72 48 02 00 00 
{257} normal block at 0x0000024871062BE0, 16 bytes long.
 Data: <&#176;> qH           > B0 3E 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024871062FA0, 16 bytes long.
 Data: < > qH           > 88 3E 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002487105C510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000248710639A0, 16 bytes long.
 Data: <`> qH           > 60 3E 06 71 48 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000024871063E60, 992 bytes long.
 Data: <&#160;9 qH    &#197; qH   > A0 39 06 71 48 02 00 00 10 C5 05 71 48 02 00 00 
{89} normal block at 0x000002487105C330, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000248710572E0, 16 bytes long.
 Data: <p&#221; qH           > 70 DD 05 71 48 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002487105DD70, 40 bytes long.
 Data: <&#224;r qH   0&#195; qH   > E0 72 05 71 48 02 00 00 30 C3 05 71 48 02 00 00 
{66} normal block at 0x0000024871057560, 16 bytes long.
 Data: < &#234;&#166;R&#247;           > 80 EA A6 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024871056E80, 16 bytes long.
 Data: <@&#233;&#166;R&#247;           > 40 E9 A6 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024871056C00, 16 bytes long.
 Data: <&#248;W&#163;R&#247;           > F8 57 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024871057600, 16 bytes long.
 Data: <&#216;W&#163;R&#247;           > D8 57 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024871056DE0, 16 bytes long.
 Data: <P &#163;R&#247;           > 50 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024871056B60, 16 bytes long.
 Data: <0 &#163;R&#247;           > 30 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000248710574C0, 16 bytes long.
 Data: <&#224; &#163;R&#247;           > E0 02 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024871057920, 16 bytes long.
 Data: <  &#163;R&#247;           > 10 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024871057470, 16 bytes long.
 Data: <p &#163;R&#247;           > 70 04 A3 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024871056FC0, 16 bytes long.
 Data: < &#192;&#161;R&#247;           > 18 C0 A1 52 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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