Task 38687416

Name test_491-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4542_0
Workunit 31628807
Created 28 Oct 2026, 7:41:13 UTC
Sent 28 Oct 2026, 7:41:14 UTC
Report deadline 2 Nov 2026, 7:41:14 UTC
Received 28 Oct 2026, 8:18:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 33 sec
CPU time 16 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.58 MB
Peak swap size 19.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:00:38 (36288): wrapper (7.9.26016): starting
09:00:38 (36288): 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
09:00:39 (36288): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:00:39 (36288): 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\9\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\9\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
09:18:25 (36288): C:/Windows/system32/cmd.exe exited; CPU time 984.406250
09:18:25 (36288): 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: 19413743 bytes.
Dumping objects ->
{3835248} normal block at 0x00000156E9A1E8B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000156E7B26920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000156E7B26760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000156E7B26680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000156E7B26840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x00000156E9A672D0, 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) : {3835160} normal block at 0x00000156E7B1FDF0, 8 bytes long.
 Data: <  &#253;&#231;V   > 00 00 FD E7 56 01 00 00 
{3833957} normal block at 0x00000156E7B20110, 8 bytes long.
 Data: <p&#235;&#191;&#231;V   > 70 EB BF E7 56 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000156E7B21440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000156E7B0ED00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000156E7B27290, 16 bytes long.
 Data: <&#248;p&#178;&#231;V           > F8 70 B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000156E7B27A10, 16 bytes long.
 Data: <&#208;p&#178;&#231;V           > D0 70 B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000156E7B1E780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000156E7B27D80, 16 bytes long.
 Data: <&#168;p&#178;&#231;V           > A8 70 B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000156E7B27AB0, 16 bytes long.
 Data: < p&#178;&#231;V           > 80 70 B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000156E7B27E70, 16 bytes long.
 Data: <Xp&#178;&#231;V           > 58 70 B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000156E7B276A0, 16 bytes long.
 Data: <0p&#178;&#231;V           > 30 70 B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000156E7B266F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000156E7B27D30, 16 bytes long.
 Data: <&#232;&#228;&#177;&#231;V           > E8 E4 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000156E7B1F3E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000156E7B27C90, 16 bytes long.
 Data: <&#192;&#228;&#177;&#231;V           > C0 E4 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000156E7B27BF0, 16 bytes long.
 Data: < &#228;&#177;&#231;V           > 98 E4 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000156E7B27BA0, 16 bytes long.
 Data: <p&#228;&#177;&#231;V           > 70 E4 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000156E7B27C40, 16 bytes long.
 Data: <H&#228;&#177;&#231;V           > 48 E4 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000156E7B27A60, 16 bytes long.
 Data: < &#228;&#177;&#231;V           > 20 E4 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000156E7B27E20, 16 bytes long.
 Data: <&#248;&#227;&#177;&#231;V           > F8 E3 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000156E7B1E960, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000156E7B27510, 16 bytes long.
 Data: <&#208;&#227;&#177;&#231;V           > D0 E3 B1 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000156E7B1E3D0, 320 bytes long.
 Data: < u&#178;&#231;V   `&#233;&#177;&#231;V   > 10 75 B2 E7 56 01 00 00 60 E9 B1 E7 56 01 00 00 
{274} normal block at 0x00000156E7B27CE0, 16 bytes long.
 Data: < p&#178;&#231;V           > 10 70 B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000156E7B28050, 16 bytes long.
 Data: <&#232;o&#178;&#231;V           > E8 6F B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000156E7B1F140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000156E7B27650, 16 bytes long.
 Data: <&#192;o&#178;&#231;V           > C0 6F B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000156E7B1F080, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000156E7B27B50, 16 bytes long.
 Data: < o&#178;&#231;V           > 08 6F B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000156E7B27240, 16 bytes long.
 Data: <&#224;n&#178;&#231;V           > E0 6E B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000156E7B27600, 16 bytes long.
 Data: <&#184;n&#178;&#231;V           > B8 6E B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000156E7B275B0, 16 bytes long.
 Data: < n&#178;&#231;V           > 90 6E B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000156E7B272E0, 16 bytes long.
 Data: <hn&#178;&#231;V           > 68 6E B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000156E7B20070, 16 bytes long.
 Data: <@n&#178;&#231;V           > 40 6E B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000156E7B1FF80, 16 bytes long.
 Data: <Pk&#178;&#231;V           > 50 6B B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000156E7B26B50, 40 bytes long.
 Data: < &#255;&#177;&#231;V   &#208;r&#166;&#233;V   > 80 FF B1 E7 56 01 00 00 D0 72 A6 E9 56 01 00 00 
{260} normal block at 0x00000156E7B1FF30, 16 bytes long.
 Data: < n&#178;&#231;V           > 20 6E B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000156E7B1F710, 16 bytes long.
 Data: <&#248;m&#178;&#231;V           > F8 6D B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000156E7B1E840, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000156E7B1FA30, 16 bytes long.
 Data: <&#208;m&#178;&#231;V           > D0 6D B2 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000156E7B26DD0, 992 bytes long.
 Data: <0&#250;&#177;&#231;V   @&#232;&#177;&#231;V   > 30 FA B1 E7 56 01 00 00 40 E8 B1 E7 56 01 00 00 
{92} normal block at 0x00000156E7B1F020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000156E7B1FC10, 16 bytes long.
 Data: <&#224;&#210;&#176;&#231;V           > E0 D2 B0 E7 56 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000156E7B0D2E0, 40 bytes long.
 Data: < &#252;&#177;&#231;V    &#240;&#177;&#231;V   > 10 FC B1 E7 56 01 00 00 20 F0 B1 E7 56 01 00 00 
{69} normal block at 0x00000156E7B1FD50, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000156E7B200C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000156E7B20020, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000156E7B1F990, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000156E7B203E0, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000156E7B1F8A0, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000156E7B1FD00, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000156E7B1FEE0, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000156E7B20200, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000156E7B20570, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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