Task 38688160

Name test_988-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6141_0
Workunit 31629526
Created 28 Oct 2026, 12:01:51 UTC
Sent 28 Oct 2026, 12:01:55 UTC
Report deadline 2 Nov 2026, 12:01:55 UTC
Received 28 Oct 2026, 15:45:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629236
Run time 1 hours 41 min 1 sec
CPU time 1 hours 31 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,386.28 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 682.09 MB
Peak swap size 5.25 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:04:03 (26484): wrapper (7.9.26016): starting
15:04:03 (26484): 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
15:04:05 (26484): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:04:05 (26484): 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\4\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\4\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
16:43:43 (26484): C:/Windows/system32/cmd.exe exited; CPU time 5498.953125
16:43:43 (26484): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 107430196 bytes.
Dumping objects ->
{3835279} normal block at 0x0000025A1D7B0D30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x0000025A1D7B1580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x0000025A1D7B0E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x0000025A1D7B1270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000025A1D7B0F60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x0000025A1D8CBDC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000025A1D8CC2D0, 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) : {3835190} normal block at 0x0000025A1BD56980, 8 bytes long.
 Data: <  &#211; Z   > 00 00 D3 1B 5A 02 00 00 
{3834561} normal block at 0x0000025A1D8CCA50, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000025A1BD567F0, 8 bytes long.
 Data: < &#234;{ Z   > 00 EA 7B 1D 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000025A1BD61110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025A1BD4A860, 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 0x0000025A1BD62BA0, 16 bytes long.
 Data: <&#184;7&#214; Z           > B8 37 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025A1BD626A0, 16 bytes long.
 Data: < 7&#214; Z           > 90 37 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025A1BD5CD20, 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 0x0000025A1BD62510, 16 bytes long.
 Data: <h7&#214; Z           > 68 37 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025A1BD62420, 16 bytes long.
 Data: <@7&#214; Z           > 40 37 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025A1BD62CE0, 16 bytes long.
 Data: < 7&#214; Z           > 18 37 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025A1BD624C0, 16 bytes long.
 Data: <&#240;6&#214; Z           > F0 36 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025A1BD5B530, 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 0x0000025A1BD62380, 16 bytes long.
 Data: < ]&#212; Z           > 98 5D D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025A1BD5D680, 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 0x0000025A1BD62330, 16 bytes long.
 Data: <p]&#212; Z           > 70 5D D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025A1BD622E0, 16 bytes long.
 Data: <H]&#212; Z           > 48 5D D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025A1BD62E70, 16 bytes long.
 Data: < ]&#212; Z           > 20 5D D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025A1BD62100, 16 bytes long.
 Data: <&#248;\&#212; Z           > F8 5C D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025A1BD62470, 16 bytes long.
 Data: <&#208;\&#212; Z           > D0 5C D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025A1BD62060, 16 bytes long.
 Data: <&#168;\&#212; Z           > A8 5C D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025A1BD5D2C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{273} normal block at 0x0000025A1BD62240, 16 bytes long.
 Data: < \&#212; Z           > 80 5C D4 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025A1BD45C80, 320 bytes long.
 Data: <@"&#214; Z   &#192;&#210;&#213; Z   > 40 22 D6 1B 5A 02 00 00 C0 D2 D5 1B 5A 02 00 00 
{271} normal block at 0x0000025A1BD62010, 16 bytes long.
 Data: <&#208;6&#214; Z           > D0 36 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025A1BD62650, 16 bytes long.
 Data: <&#168;6&#214; Z           > A8 36 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025A1BD5D080, 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 0x0000025A1BD62A60, 16 bytes long.
 Data: < 6&#214; Z           > 80 36 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025A1BD5CC00, 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 0x0000025A1BD62E20, 16 bytes long.
 Data: <&#200;5&#214; Z           > C8 35 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025A1BD62A10, 16 bytes long.
 Data: <&#160;5&#214; Z           > A0 35 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025A1BD628D0, 16 bytes long.
 Data: <x5&#214; Z           > 78 35 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025A1BD62C90, 16 bytes long.
 Data: <P5&#214; Z           > 50 35 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025A1BD62DD0, 16 bytes long.
 Data: <(5&#214; Z           > 28 35 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025A1BD623D0, 16 bytes long.
 Data: < 5&#214; Z           > 00 35 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025A1BD62880, 16 bytes long.
 Data: <&#192;&#180;&#213; Z           > C0 B4 D5 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025A1BD5B4C0, 40 bytes long.
 Data: < (&#214; Z   &#192;&#189;&#140; Z   > 80 28 D6 1B 5A 02 00 00 C0 BD 8C 1D 5A 02 00 00 
{257} normal block at 0x0000025A1BD62560, 16 bytes long.
 Data: <&#224;4&#214; Z           > E0 34 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025A1BD62AB0, 16 bytes long.
 Data: <&#184;4&#214; Z           > B8 34 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025A1BD5D020, 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 0x0000025A1BD61FC0, 16 bytes long.
 Data: < 4&#214; Z           > 90 34 D6 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000025A1BD63490, 992 bytes long.
 Data: <&#192; &#214; Z    &#208;&#213; Z   > C0 1F D6 1B 5A 02 00 00 20 D0 D5 1B 5A 02 00 00 
{89} normal block at 0x0000025A1BD5CDE0, 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 0x0000025A1BD57100, 16 bytes long.
 Data: < &#185;&#213; Z           > 90 B9 D5 1B 5A 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000025A1BD5B990, 40 bytes long.
 Data: < q&#213; Z   &#224;&#205;&#213; Z   > 00 71 D5 1B 5A 02 00 00 E0 CD D5 1B 5A 02 00 00 
{66} normal block at 0x0000025A1BD56E30, 16 bytes long.
 Data: < &#234; &#177;&#247;           > 80 EA 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025A1BD56D90, 16 bytes long.
 Data: <@&#233; &#177;&#247;           > 40 E9 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025A1BD566B0, 16 bytes long.
 Data: <&#248;W&#154;&#177;&#247;           > F8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025A1BD57150, 16 bytes long.
 Data: <&#216;W&#154;&#177;&#247;           > D8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025A1BD565C0, 16 bytes long.
 Data: <P &#154;&#177;&#247;           > 50 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025A1BD56570, 16 bytes long.
 Data: <0 &#154;&#177;&#247;           > 30 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025A1BD56930, 16 bytes long.
 Data: <&#224; &#154;&#177;&#247;           > E0 02 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025A1BD57420, 16 bytes long.
 Data: <  &#154;&#177;&#247;           > 10 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025A1BD57290, 16 bytes long.
 Data: <p &#154;&#177;&#247;           > 70 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025A1BD573D0, 16 bytes long.
 Data: < &#192; &#177;&#247;           > 18 C0 98 B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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