Task 38688069

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND2509_0
Workunit 31629438
Created 28 Oct 2026, 11:26:08 UTC
Sent 28 Oct 2026, 11:26:12 UTC
Report deadline 2 Nov 2026, 11:26:12 UTC
Received 28 Oct 2026, 13:55:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628418
Run time 42 min 24 sec
CPU time 41 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.01 MB
Peak swap size 9.87 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:05:40 (17236): wrapper (7.9.26016): starting
13:05:40 (17236): 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
13:05:41 (17236): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:05:41 (17236): 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 'D:\BOINC_DATA\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 'D:\BOINC_DATA\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
13:46:54 (17236): C:/Windows/system32/cmd.exe exited; CPU time 2517.375000
13:46:54 (17236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 41469913 bytes.
Dumping objects ->
{3835248} normal block at 0x0000014E52442AD0, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835237} normal block at 0x0000014E52404FA0, 32 bytes long.
 Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835226} normal block at 0x0000014E524059C0, 32 bytes long.
 Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54 
{3835215} normal block at 0x0000014E52405C00, 32 bytes long.
 Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835204} normal block at 0x0000014E52404C40, 32 bytes long.
 Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F 
{3835173} normal block at 0x0000014E52443550, 48 bytes long.
 Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 
{3835162} normal block at 0x0000014E50868860, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x0000014E50867970, 8 bytes long.
 Data: <  &#131;PN   > 00 00 83 50 4E 01 00 00 
{3834561} normal block at 0x0000014E50869520, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000014E50867920, 8 bytes long.
 Data: < &#171;&#133;PN   > 00 AB 85 50 4E 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000014E50871E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000014E50867F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000014E50873010, 16 bytes long.
 Data: <x@&#135;PN           > 78 40 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000014E508731F0, 16 bytes long.
 Data: <P@&#135;PN           > 50 40 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000014E5086BC30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000014E50872FC0, 16 bytes long.
 Data: <(@&#135;PN           > 28 40 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014E50873A60, 16 bytes long.
 Data: < @&#135;PN           > 00 40 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014E50872F20, 16 bytes long.
 Data: <&#216;?&#135;PN           > D8 3F 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014E50873A10, 16 bytes long.
 Data: <&#176;?&#135;PN           > B0 3F 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000014E5086D770, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000014E50873060, 16 bytes long.
 Data: <&#168;&#210;&#134;PN           > A8 D2 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000014E5086BFF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000014E50872E80, 16 bytes long.
 Data: < &#210;&#134;PN           > 80 D2 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014E50872DE0, 16 bytes long.
 Data: <X&#210;&#134;PN           > 58 D2 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000014E508739C0, 16 bytes long.
 Data: <0&#210;&#134;PN           > 30 D2 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014E50873470, 16 bytes long.
 Data: < &#210;&#134;PN           > 08 D2 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014E50873BF0, 16 bytes long.
 Data: <&#224;&#209;&#134;PN           > E0 D1 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000014E50873970, 16 bytes long.
 Data: <&#184;&#209;&#134;PN           > B8 D1 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000014E5086BF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000014E50872D90, 16 bytes long.
 Data: < &#209;&#134;PN           > 90 D1 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000014E5086D190, 320 bytes long.
 Data: < -&#135;PN    &#191;&#134;PN   > 90 2D 87 50 4E 01 00 00 90 BF 86 50 4E 01 00 00 
{276} normal block at 0x0000014E50873880, 16 bytes long.
 Data: < ?&#135;PN           > 90 3F 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000014E50873920, 16 bytes long.
 Data: <h?&#135;PN           > 68 3F 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000014E5086C470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000014E508736F0, 16 bytes long.
 Data: <@?&#135;PN           > 40 3F 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000014E5086BC90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000014E50873830, 16 bytes long.
 Data: < >&#135;PN           > 88 3E 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014E50873C90, 16 bytes long.
 Data: <`>&#135;PN           > 60 3E 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014E50873CE0, 16 bytes long.
 Data: <8>&#135;PN           > 38 3E 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014E508737E0, 16 bytes long.
 Data: < >&#135;PN           > 10 3E 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000014E50873600, 16 bytes long.
 Data: <&#232;=&#135;PN           > E8 3D 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000014E508732E0, 16 bytes long.
 Data: <&#192;=&#135;PN           > C0 3D 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014E50873C40, 16 bytes long.
 Data: <&#208;&#219;&#134;PN           > D0 DB 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000014E5086DBD0, 40 bytes long.
 Data: <@<&#135;PN   P5DRN   > 40 3C 87 50 4E 01 00 00 50 35 44 52 4E 01 00 00 
{262} normal block at 0x0000014E50873560, 16 bytes long.
 Data: <&#160;=&#135;PN           > A0 3D 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014E50873510, 16 bytes long.
 Data: <x=&#135;PN           > 78 3D 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000014E5086B990, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000014E50873240, 16 bytes long.
 Data: <P=&#135;PN           > 50 3D 87 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000014E50873D50, 992 bytes long.
 Data: <@2&#135;PN    &#185;&#134;PN   > 40 32 87 50 4E 01 00 00 90 B9 86 50 4E 01 00 00 
{94} normal block at 0x0000014E5086C590, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000014E50867650, 16 bytes long.
 Data: < &#218;&#134;PN           > 10 DA 86 50 4E 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000014E5086DA10, 40 bytes long.
 Data: <Pv&#134;PN    &#197;&#134;PN   > 50 76 86 50 4E 01 00 00 90 C5 86 50 4E 01 00 00 
{71} normal block at 0x0000014E508672E0, 16 bytes long.
 Data: < &#234;#c&#247;           > 80 EA 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000014E50867740, 16 bytes long.
 Data: <@&#233;#c&#247;           > 40 E9 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000014E50867560, 16 bytes long.
 Data: <&#248;W c&#247;           > F8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000014E50867510, 16 bytes long.
 Data: <&#216;W c&#247;           > D8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000014E508676F0, 16 bytes long.
 Data: <P  c&#247;           > 50 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000014E508677E0, 16 bytes long.
 Data: <0  c&#247;           > 30 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000014E50867290, 16 bytes long.
 Data: <&#224;  c&#247;           > E0 02 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000014E50866CF0, 16 bytes long.
 Data: <   c&#247;           > 10 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000014E50866D90, 16 bytes long.
 Data: <p  c&#247;           > 70 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000014E50867010, 16 bytes long.
 Data: < &#192; c&#247;           > 18 C0 1E 63 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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