Task 38689121

Name test_297-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND4855_0
Workunit 31630397
Created 28 Oct 2026, 18:31:39 UTC
Sent 28 Oct 2026, 18:31:46 UTC
Report deadline 2 Nov 2026, 18:31:46 UTC
Received 28 Oct 2026, 19:53:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629400
Run time 57 min 57 sec
CPU time 54 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 680.94 MB
Peak swap size 2.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:55:43 (256): wrapper (7.9.26016): starting
20:55:43 (256): 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
20:55:46 (256): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:55:46 (256): 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 'E:\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 'E:\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
21:52:40 (256): C:/Windows/system32/cmd.exe exited; CPU time 3283.859375
21:52:40 (256): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 43719214 bytes.
Dumping objects ->
{3835460} normal block at 0x0000015FCF8972C0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835449} normal block at 0x0000015FD1A95E30, 32 bytes long.
 Data: <HOME=E:\Boinc\sl> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835438} normal block at 0x0000015FD1A95EF0, 32 bytes long.
 Data: <TMP=E:\Boinc\slo> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 6F 
{3835427} normal block at 0x0000015FD1A96130, 32 bytes long.
 Data: <TEMP=E:\Boinc\sl> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835416} normal block at 0x0000015FD1A960D0, 32 bytes long.
 Data: <TMPDIR=E:\Boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 5C 
{3835385} normal block at 0x0000015FCF896BC0, 48 bytes long.
 Data: <PATH=E:\Boinc\sl> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 5C 73 6C 
{3835374} normal block at 0x0000015FD1980C50, 85 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) : {3835371} normal block at 0x0000015FCF8671A0, 8 bytes long.
 Data: <  &#132;&#207;_   > 00 00 84 CF 5F 01 00 00 
{3834651} normal block at 0x0000015FD1980610, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000015FCF866ED0, 8 bytes long.
 Data: < x&#174;&#209;_   > 00 78 AE D1 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000015FCF8739A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015FCF858CD0, 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 0x0000015FCF871F20, 16 bytes long.
 Data: < 1&#135;&#207;_           > 08 31 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015FCF871B10, 16 bytes long.
 Data: <&#224;0&#135;&#207;_           > E0 30 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015FCF86BD20, 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 0x0000015FCF872560, 16 bytes long.
 Data: <&#184;0&#135;&#207;_           > B8 30 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015FCF871C50, 16 bytes long.
 Data: < 0&#135;&#207;_           > 90 30 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015FCF871C00, 16 bytes long.
 Data: <h0&#135;&#207;_           > 68 30 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015FCF872380, 16 bytes long.
 Data: <@0&#135;&#207;_           > 40 30 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015FCF86D430, 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 0x0000015FCF872330, 16 bytes long.
 Data: <H&#192;&#133;&#207;_           > 48 C0 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015FCF86C500, 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 0x0000015FCF872920, 16 bytes long.
 Data: < &#192;&#133;&#207;_           > 20 C0 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015FCF872150, 16 bytes long.
 Data: <&#248;&#191;&#133;&#207;_           > F8 BF 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015FCF872060, 16 bytes long.
 Data: <&#208;&#191;&#133;&#207;_           > D0 BF 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015FCF872510, 16 bytes long.
 Data: <&#168;&#191;&#133;&#207;_           > A8 BF 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015FCF8726F0, 16 bytes long.
 Data: < &#191;&#133;&#207;_           > 80 BF 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015FCF872100, 16 bytes long.
 Data: <X&#191;&#133;&#207;_           > 58 BF 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015FCF86C0E0, 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 0x0000015FCF871DE0, 16 bytes long.
 Data: <0&#191;&#133;&#207;_           > 30 BF 85 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015FCF85BF30, 320 bytes long.
 Data: <&#224; &#135;&#207;_   &#224;&#192;&#134;&#207;_   > E0 1D 87 CF 5F 01 00 00 E0 C0 86 CF 5F 01 00 00 
{270} normal block at 0x0000015FCF8722E0, 16 bytes long.
 Data: < 0&#135;&#207;_           > 20 30 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015FCF872600, 16 bytes long.
 Data: <&#248;/&#135;&#207;_           > F8 2F 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015FCF86BB40, 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 0x0000015FCF872470, 16 bytes long.
 Data: <&#208;/&#135;&#207;_           > D0 2F 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015FCF86B8A0, 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 0x0000015FCF8724C0, 16 bytes long.
 Data: < /&#135;&#207;_           > 18 2F 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015FCF871E80, 16 bytes long.
 Data: <&#240;.&#135;&#207;_           > F0 2E 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015FCF8728D0, 16 bytes long.
 Data: <&#200;.&#135;&#207;_           > C8 2E 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015FCF8727E0, 16 bytes long.
 Data: <&#160;.&#135;&#207;_           > A0 2E 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015FCF8725B0, 16 bytes long.
 Data: <x.&#135;&#207;_           > 78 2E 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015FCF871A70, 16 bytes long.
 Data: <P.&#135;&#207;_           > 50 2E 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015FCF872970, 16 bytes long.
 Data: < &#216;&#134;&#207;_           > 90 D8 86 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015FCF86D890, 40 bytes long.
 Data: <p)&#135;&#207;_   &#192;k&#137;&#207;_   > 70 29 87 CF 5F 01 00 00 C0 6B 89 CF 5F 01 00 00 
{256} normal block at 0x0000015FCF871ED0, 16 bytes long.
 Data: <0.&#135;&#207;_           > 30 2E 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015FCF872010, 16 bytes long.
 Data: < .&#135;&#207;_           > 08 2E 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015FCF86C080, 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 0x0000015FCF871D90, 16 bytes long.
 Data: <&#224;-&#135;&#207;_           > E0 2D 87 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000015FCF872DE0, 992 bytes long.
 Data: <  &#135;&#207;_    &#192;&#134;&#207;_   > 90 1D 87 CF 5F 01 00 00 80 C0 86 CF 5F 01 00 00 
{88} normal block at 0x0000015FCF86BAE0, 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 0x0000015FCF866E80, 16 bytes long.
 Data: <&#208;&#214;&#134;&#207;_           > D0 D6 86 CF 5F 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000015FCF86D6D0, 40 bytes long.
 Data: < n&#134;&#207;_   &#224;&#186;&#134;&#207;_   > 80 6E 86 CF 5F 01 00 00 E0 BA 86 CF 5F 01 00 00 
{65} normal block at 0x0000015FCF867560, 16 bytes long.
 Data: < &#234;&#203;&#168;&#247;           > 80 EA CB A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015FCF8677E0, 16 bytes long.
 Data: <@&#233;&#203;&#168;&#247;           > 40 E9 CB A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015FCF866CF0, 16 bytes long.
 Data: <&#248;W&#200;&#168;&#247;           > F8 57 C8 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015FCF8676A0, 16 bytes long.
 Data: <&#216;W&#200;&#168;&#247;           > D8 57 C8 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015FCF866B60, 16 bytes long.
 Data: <P &#200;&#168;&#247;           > 50 04 C8 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015FCF867420, 16 bytes long.
 Data: <0 &#200;&#168;&#247;           > 30 04 C8 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015FCF866DE0, 16 bytes long.
 Data: <&#224; &#200;&#168;&#247;           > E0 02 C8 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015FCF867650, 16 bytes long.
 Data: <  &#200;&#168;&#247;           > 10 04 C8 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015FCF867600, 16 bytes long.
 Data: <p &#200;&#168;&#247;           > 70 04 C8 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015FCF867510, 16 bytes long.
 Data: < &#192;&#198;&#168;&#247;           > 18 C0 C6 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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