Task 38680580

Name test_401-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8527_1
Workunit 31622150
Created 27 Oct 2026, 0:29:56 UTC
Sent 27 Oct 2026, 0:30:08 UTC
Report deadline 1 Nov 2026, 0:30:08 UTC
Received 27 Oct 2026, 1:22:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653456
Run time 41 min 57 sec
CPU time 37 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 18,251.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 819.57 MB
Peak swap size 9.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:42:11 (43268): wrapper (7.9.26016): starting
17:42:11 (43268): 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
17:42:12 (43268): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:42:12 (43268): 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
18:22:21 (43268): C:/Windows/system32/cmd.exe exited; CPU time 2268.765625
18:22:21 (43268): 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: 62248715 bytes.
Dumping objects ->
{3835516} normal block at 0x00000253EDA286A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835505} normal block at 0x00000253EDA28A90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835494} normal block at 0x00000253EDA28320, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835483} normal block at 0x00000253EBB15E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835472} normal block at 0x00000253EBB15DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835441} normal block at 0x00000253ED9DAE90, 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) : {3835428} normal block at 0x00000253EBB0E280, 8 bytes long.
 Data: <   &#236;S   > 00 00 0F EC 53 02 00 00 
{3833971} normal block at 0x00000253EBB0EF50, 8 bytes long.
 Data: <&#176;Q&#163;&#237;S   > B0 51 A3 ED 53 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000253EBB10130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000253EBB07450, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000253EBB16A20, 16 bytes long.
 Data: <&#248;x&#177;&#235;S           > F8 78 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000253EBB16E80, 16 bytes long.
 Data: <&#208;x&#177;&#235;S           > D0 78 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000253EBB10620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000253EBB16E30, 16 bytes long.
 Data: <&#168;x&#177;&#235;S           > A8 78 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000253EBB16D90, 16 bytes long.
 Data: < x&#177;&#235;S           > 80 78 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000253EBB169D0, 16 bytes long.
 Data: <Xx&#177;&#235;S           > 58 78 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000253EBB16890, 16 bytes long.
 Data: <0x&#177;&#235;S           > 30 78 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000253EBB15F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000253EBB16980, 16 bytes long.
 Data: <(&#254;&#175;&#235;S           > 28 FE AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000253EBB10CE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000253EBB17240, 16 bytes long.
 Data: < &#254;&#175;&#235;S           > 00 FE AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000253EBB16840, 16 bytes long.
 Data: <&#216;&#253;&#175;&#235;S           > D8 FD AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000253EBB16930, 16 bytes long.
 Data: <&#176;&#253;&#175;&#235;S           > B0 FD AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000253EBB16D40, 16 bytes long.
 Data: < &#253;&#175;&#235;S           > 88 FD AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000253EBB17150, 16 bytes long.
 Data: <`&#253;&#175;&#235;S           > 60 FD AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000253EBB171A0, 16 bytes long.
 Data: <8&#253;&#175;&#235;S           > 38 FD AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000253EBB10F20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000253EBB16C50, 16 bytes long.
 Data: < &#253;&#175;&#235;S           > 10 FD AF EB 53 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000253EBAFFD10, 320 bytes long.
 Data: <Pl&#177;&#235;S     &#177;&#235;S   > 50 6C B1 EB 53 02 00 00 20 0F B1 EB 53 02 00 00 
{281} normal block at 0x00000253EBB167F0, 16 bytes long.
 Data: < x&#177;&#235;S           > 10 78 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000253EBB16CF0, 16 bytes long.
 Data: <&#232;w&#177;&#235;S           > E8 77 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000253EBB11280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000253EBB16C00, 16 bytes long.
 Data: <&#192;w&#177;&#235;S           > C0 77 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000253EBB109E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000253EBB17100, 16 bytes long.
 Data: < w&#177;&#235;S           > 08 77 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000253EBB17330, 16 bytes long.
 Data: <&#224;v&#177;&#235;S           > E0 76 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000253EBB171F0, 16 bytes long.
 Data: <&#184;v&#177;&#235;S           > B8 76 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000253EBB16FC0, 16 bytes long.
 Data: < v&#177;&#235;S           > 90 76 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000253EBB16CA0, 16 bytes long.
 Data: <hv&#177;&#235;S           > 68 76 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000253EBB167A0, 16 bytes long.
 Data: <@v&#177;&#235;S           > 40 76 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000253EBB172E0, 16 bytes long.
 Data: <&#176;_&#177;&#235;S           > B0 5F B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000253EBB15FB0, 40 bytes long.
 Data: <&#224;r&#177;&#235;S    &#174; &#237;S   > E0 72 B1 EB 53 02 00 00 90 AE 9D ED 53 02 00 00 
{267} normal block at 0x00000253EBB16750, 16 bytes long.
 Data: < v&#177;&#235;S           > 20 76 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000253EBB16DE0, 16 bytes long.
 Data: <&#248;u&#177;&#235;S           > F8 75 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000253EBB11040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000253EBB17560, 16 bytes long.
 Data: <&#208;u&#177;&#235;S           > D0 75 B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000253EBB175D0, 992 bytes long.
 Data: <`u&#177;&#235;S   @ &#177;&#235;S   > 60 75 B1 EB 53 02 00 00 40 10 B1 EB 53 02 00 00 
{99} normal block at 0x00000253EBB10B00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000253EBB0E4B0, 16 bytes long.
 Data: <P[&#177;&#235;S           > 50 5B B1 EB 53 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000253EBB15B50, 40 bytes long.
 Data: <&#176;&#228;&#176;&#235;S     &#177;&#235;S   > B0 E4 B0 EB 53 02 00 00 00 0B B1 EB 53 02 00 00 
{76} normal block at 0x00000253EBB0E640, 16 bytes long.
 Data: < &#234;&#225;t&#247;           > 80 EA E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000253EBB0E230, 16 bytes long.
 Data: <@&#233;&#225;t&#247;           > 40 E9 E1 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000253EBB0E410, 16 bytes long.
 Data: <&#248;W&#222;t&#247;           > F8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000253EBB0E370, 16 bytes long.
 Data: <&#216;W&#222;t&#247;           > D8 57 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000253EBB0EBE0, 16 bytes long.
 Data: <P &#222;t&#247;           > 50 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000253EBB0E5F0, 16 bytes long.
 Data: <0 &#222;t&#247;           > 30 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000253EBB0EE10, 16 bytes long.
 Data: <&#224; &#222;t&#247;           > E0 02 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000253EBB0EFA0, 16 bytes long.
 Data: <  &#222;t&#247;           > 10 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000253EBB0ED70, 16 bytes long.
 Data: <p &#222;t&#247;           > 70 04 DE 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000253EBB0EB40, 16 bytes long.
 Data: < &#192;&#220;t&#247;           > 18 C0 DC 74 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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