Task 38681615

Name test_454-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9391_0
Workunit 31623275
Created 27 Oct 2026, 4:39:33 UTC
Sent 27 Oct 2026, 4:39:35 UTC
Report deadline 1 Nov 2026, 4:39:35 UTC
Received 27 Oct 2026, 5:51:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 17 min 16 sec
CPU time 15 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.59 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:34:48 (6864): wrapper (7.9.26016): starting
00:34:48 (6864): 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
00:34:49 (6864): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:34:49 (6864): 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\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 'C:\ProgramData\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
00:51:22 (6864): C:/Windows/system32/cmd.exe exited; CPU time 950.703125
00:51:22 (6864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 21419557 bytes.
Dumping objects ->
{3835289} normal block at 0x0000029E63D058A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000029E63D05830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000029E63D056E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x0000029E63D05670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000029E63D05600, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x0000029E65A2B3B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000029E63D5DC30, 135 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) : {3835200} normal block at 0x0000029E63D00DA0, 8 bytes long.
 Data: <  &#205;c&#158;   > 00 00 CD 63 9E 02 00 00 
{3834577} normal block at 0x0000029E63D5DF70, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000029E63D001C0, 8 bytes long.
 Data: <0M&#208;c&#158;   > 30 4D D0 63 9E 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000029E63D012B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029E63CEF740, 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 0x0000029E63D06200, 16 bytes long.
 Data: <h`&#208;c&#158;           > 68 60 D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029E63D06340, 16 bytes long.
 Data: <@`&#208;c&#158;           > 40 60 D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029E63CFFB90, 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 0x0000029E63D061B0, 16 bytes long.
 Data: < `&#208;c&#158;           > 18 60 D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029E63D07100, 16 bytes long.
 Data: <&#240;_&#208;c&#158;           > F0 5F D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029E63D070B0, 16 bytes long.
 Data: <&#200;_&#208;c&#158;           > C8 5F D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029E63D06610, 16 bytes long.
 Data: <&#160;_&#208;c&#158;           > A0 5F D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029E63D053D0, 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 0x0000029E63D06930, 16 bytes long.
 Data: < &#181;&#206;c&#158;           > 08 B5 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029E63CFFB30, 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 0x0000029E63D06C00, 16 bytes long.
 Data: <&#224;&#180;&#206;c&#158;           > E0 B4 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029E63D06390, 16 bytes long.
 Data: <&#184;&#180;&#206;c&#158;           > B8 B4 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029E63D065C0, 16 bytes long.
 Data: < &#180;&#206;c&#158;           > 90 B4 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029E63D067F0, 16 bytes long.
 Data: <h&#180;&#206;c&#158;           > 68 B4 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029E63D062F0, 16 bytes long.
 Data: <@&#180;&#206;c&#158;           > 40 B4 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029E63D06480, 16 bytes long.
 Data: < &#180;&#206;c&#158;           > 18 B4 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029E63CFF350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000029E63D06980, 16 bytes long.
 Data: <&#240;&#179;&#206;c&#158;           > F0 B3 CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029E63CEB3F0, 320 bytes long.
 Data: < i&#208;c&#158;   P&#243;&#207;c&#158;   > 80 69 D0 63 9E 02 00 00 50 F3 CF 63 9E 02 00 00 
{273} normal block at 0x0000029E63D06BB0, 16 bytes long.
 Data: < _&#208;c&#158;           > 80 5F D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029E63D06750, 16 bytes long.
 Data: <X_&#208;c&#158;           > 58 5F D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029E63CFF8F0, 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 0x0000029E63D06CA0, 16 bytes long.
 Data: <0_&#208;c&#158;           > 30 5F D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029E63CFF6B0, 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 0x0000029E63D07060, 16 bytes long.
 Data: <x^&#208;c&#158;           > 78 5E D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029E63D07010, 16 bytes long.
 Data: <P^&#208;c&#158;           > 50 5E D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029E63D062A0, 16 bytes long.
 Data: <(^&#208;c&#158;           > 28 5E D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029E63D064D0, 16 bytes long.
 Data: < ^&#208;c&#158;           > 00 5E D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029E63D00530, 16 bytes long.
 Data: <&#216;]&#208;c&#158;           > D8 5D D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029E63D003F0, 16 bytes long.
 Data: <&#176;]&#208;c&#158;           > B0 5D D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029E63D00C10, 16 bytes long.
 Data: < Y&#208;c&#158;           > 10 59 D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029E63D05910, 40 bytes long.
 Data: <  &#208;c&#158;   &#176;&#179;&#162;e&#158;   > 10 0C D0 63 9E 02 00 00 B0 B3 A2 65 9E 02 00 00 
{259} normal block at 0x0000029E63D00AD0, 16 bytes long.
 Data: < ]&#208;c&#158;           > 90 5D D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029E63D003A0, 16 bytes long.
 Data: <h]&#208;c&#158;           > 68 5D D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000029E63CFEF30, 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 0x0000029E63D00300, 16 bytes long.
 Data: <@]&#208;c&#158;           > 40 5D D0 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000029E63D05D40, 992 bytes long.
 Data: <  &#208;c&#158;   0&#239;&#207;c&#158;   > 00 03 D0 63 9E 02 00 00 30 EF CF 63 9E 02 00 00 
{91} normal block at 0x0000029E63CFF950, 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 0x0000029E63D006C0, 16 bytes long.
 Data: <&#160;&#220;&#206;c&#158;           > A0 DC CE 63 9E 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000029E63CEDCA0, 40 bytes long.
 Data: <&#192; &#208;c&#158;   P&#249;&#207;c&#158;   > C0 06 D0 63 9E 02 00 00 50 F9 CF 63 9E 02 00 00 
{68} normal block at 0x0000029E63CFFF90, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029E63D00080, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029E63D00E90, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029E63D00CB0, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029E63D00210, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029E63D00D00, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029E63D00C60, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000029E63D00990, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029E63D00170, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029E63D00710, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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