Task 38696511

Name test_693-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6322_1
Workunit 31622410
Created 1 Nov 2026, 0:54:48 UTC
Sent 1 Nov 2026, 0:54:53 UTC
Report deadline 6 Nov 2026, 0:54:53 UTC
Received 1 Nov 2026, 3:25:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615523
Run time 1 hours 23 min 20 sec
CPU time 1 hours 13 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.10 MB
Peak swap size 3.81 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:02:03 (13112): wrapper (7.9.26016): starting
19:02:03 (13112): 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
19:02:04 (13112): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:02:04 (13112): 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 'F:\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 'F:\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
20:24:12 (13112): C:/Windows/system32/cmd.exe exited; CPU time 4439.078125
20:24:12 (13112): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 87705049 bytes.
Dumping objects ->
{3835513} normal block at 0x0000020780384780, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835502} normal block at 0x00000207820379E0, 32 bytes long.
 Data: <HOME=F:\BOINC\sl> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835491} normal block at 0x0000020782038340, 32 bytes long.
 Data: <TMP=F:\BOINC\slo> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835480} normal block at 0x0000020782038460, 32 bytes long.
 Data: <TEMP=F:\BOINC\sl> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835469} normal block at 0x0000020782038700, 32 bytes long.
 Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C 
{3835438} normal block at 0x00000207803842B0, 48 bytes long.
 Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835425} normal block at 0x000002078037E1C0, 8 bytes long.
 Data: <  4     > 00 00 34 80 07 02 00 00 
{3833955} normal block at 0x000002078037E670, 8 bytes long.
 Data: <&#192;<8     > C0 3C 38 80 07 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000207803867F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020780377360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020780385C90, 16 bytes long.
 Data: < Q8             > 98 51 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020780386000, 16 bytes long.
 Data: <pQ8             > 70 51 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020780380410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000207803859C0, 16 bytes long.
 Data: <HQ8             > 48 51 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020780385D80, 16 bytes long.
 Data: < Q8             > 20 51 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000207803854C0, 16 bytes long.
 Data: <&#248;P8             > F8 50 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020780385650, 16 bytes long.
 Data: <&#208;P8             > D0 50 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020780384390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020780385AB0, 16 bytes long.
 Data: <H&#255;6             > 48 FF 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002078037F930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020780385BA0, 16 bytes long.
 Data: < &#255;6             > 20 FF 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020780385D30, 16 bytes long.
 Data: <&#248;&#254;6             > F8 FE 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020780385790, 16 bytes long.
 Data: <&#208;&#254;6             > D0 FE 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020780385F60, 16 bytes long.
 Data: <&#168;&#254;6             > A8 FE 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000207803860A0, 16 bytes long.
 Data: < &#254;6             > 80 FE 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000207803858D0, 16 bytes long.
 Data: <X&#254;6             > 58 FE 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000207803804D0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x0000020780385DD0, 16 bytes long.
 Data: <0&#254;6             > 30 FE 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002078036FE30, 320 bytes long.
 Data: <&#208;]8     &#208; 8     > D0 5D 38 80 07 02 00 00 D0 04 38 80 07 02 00 00 
{273} normal block at 0x0000020780385970, 16 bytes long.
 Data: <&#176;P8             > B0 50 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000207803856F0, 16 bytes long.
 Data: < P8             > 88 50 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000207803802F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000207803857E0, 16 bytes long.
 Data: <`P8             > 60 50 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020780380350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020780385BF0, 16 bytes long.
 Data: <&#168;O8             > A8 4F 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020780385420, 16 bytes long.
 Data: < O8             > 80 4F 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020780385380, 16 bytes long.
 Data: <XO8             > 58 4F 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000207803861E0, 16 bytes long.
 Data: <0O8             > 30 4F 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020780386190, 16 bytes long.
 Data: < O8             > 08 4F 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002078037E210, 16 bytes long.
 Data: <&#224;N8             > E0 4E 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002078037DFE0, 16 bytes long.
 Data: <pD8             > 70 44 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020780384470, 40 bytes long.
 Data: <&#224;&#223;7     &#176;B8     > E0 DF 37 80 07 02 00 00 B0 42 38 80 07 02 00 00 
{259} normal block at 0x000002078037DF90, 16 bytes long.
 Data: <&#192;N8             > C0 4E 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002078037DC20, 16 bytes long.
 Data: < N8             > 98 4E 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000207803803B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002078037E580, 16 bytes long.
 Data: <pN8             > 70 4E 38 80 07 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020780384E70, 992 bytes long.
 Data: < &#229;7     &#176; 8     > 80 E5 37 80 07 02 00 00 B0 03 38 80 07 02 00 00 
{91} normal block at 0x000002078037FDB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002078037E120, 16 bytes long.
 Data: <`&#244;6             > 60 F4 36 80 07 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002078036F460, 40 bytes long.
 Data: < &#225;7     &#176;&#253;7     > 20 E1 37 80 07 02 00 00 B0 FD 37 80 07 02 00 00 
{68} normal block at 0x000002078037E760, 16 bytes long.
 Data: < &#234;7U&#247;           > 80 EA 37 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002078037DF40, 16 bytes long.
 Data: <@&#233;7U&#247;           > 40 E9 37 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002078037D950, 16 bytes long.
 Data: <&#248;W4U&#247;           > F8 57 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002078037E0D0, 16 bytes long.
 Data: <&#216;W4U&#247;           > D8 57 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002078037DB30, 16 bytes long.
 Data: <P 4U&#247;           > 50 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002078037E3F0, 16 bytes long.
 Data: <0 4U&#247;           > 30 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002078037DCC0, 16 bytes long.
 Data: <&#224; 4U&#247;           > E0 02 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002078037E490, 16 bytes long.
 Data: <  4U&#247;           > 10 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002078037E3A0, 16 bytes long.
 Data: <p 4U&#247;           > 70 04 34 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002078037E7B0, 16 bytes long.
 Data: < &#192;2U&#247;           > 18 C0 32 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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