Task 38686861

Name test_389-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2988_0
Workunit 31628270
Created 28 Oct 2026, 4:44:54 UTC
Sent 28 Oct 2026, 4:44:58 UTC
Report deadline 2 Nov 2026, 4:44:58 UTC
Received 28 Oct 2026, 5:38:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652180
Run time 52 min 45 sec
CPU time 51 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,742.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.42 MB
Peak swap size 14.28 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
05:47:13 (1756): wrapper (7.9.26016): starting
05:47:13 (1756): 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
05:47:15 (1756): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:47:15 (1756): 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\71\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\71\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
06:37:56 (1756): C:/Windows/system32/cmd.exe exited; CPU time 3075.781250
06:37:56 (1756): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 54604499 bytes.
Dumping objects ->
{3835218} normal block at 0x0000016293E42B20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000016293E43530, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000016293E43840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835185} normal block at 0x0000016293E431B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x0000016293E42C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835143} normal block at 0x0000016293D6C420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x0000016293DCDE30, 102 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) : {3835129} normal block at 0x0000016291FD8E00, 8 bytes long.
 Data: <  &#187;&#147;b   > 00 00 BB 93 62 01 00 00 
{3834528} normal block at 0x0000016293DCDB70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000016291FD90D0, 8 bytes long.
 Data: <&#240;?&#225;&#147;b   > F0 3F E1 93 62 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016291FE38F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016291FCAEE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000016291FE5060, 16 bytes long.
 Data: <([&#254;&#145;b           > 28 5B FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016291FE4890, 16 bytes long.
 Data: < [&#254;&#145;b           > 00 5B FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016291FDF430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000016291FE5330, 16 bytes long.
 Data: <&#216;Z&#254;&#145;b           > D8 5A FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016291FE4A20, 16 bytes long.
 Data: <&#176;Z&#254;&#145;b           > B0 5A FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016291FE4E30, 16 bytes long.
 Data: < Z&#254;&#145;b           > 88 5A FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016291FE4DE0, 16 bytes long.
 Data: <`Z&#254;&#145;b           > 60 5A FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016291FDE2B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000016291FE4BB0, 16 bytes long.
 Data: <(&#235;&#253;&#145;b           > 28 EB FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016291FDF3D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000016291FE54C0, 16 bytes long.
 Data: < &#235;&#253;&#145;b           > 00 EB FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016291FE49D0, 16 bytes long.
 Data: <&#216;&#234;&#253;&#145;b           > D8 EA FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016291FE52E0, 16 bytes long.
 Data: <&#176;&#234;&#253;&#145;b           > B0 EA FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016291FE4840, 16 bytes long.
 Data: < &#234;&#253;&#145;b           > 88 EA FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016291FE5100, 16 bytes long.
 Data: <`&#234;&#253;&#145;b           > 60 EA FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016291FE5240, 16 bytes long.
 Data: <8&#234;&#253;&#145;b           > 38 EA FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016291FDF1F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000016291FE4D40, 16 bytes long.
 Data: < &#234;&#253;&#145;b           > 10 EA FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016291FDEA10, 320 bytes long.
 Data: <@M&#254;&#145;b   &#240;&#241;&#253;&#145;b   > 40 4D FE 91 62 01 00 00 F0 F1 FD 91 62 01 00 00 
{269} normal block at 0x0000016291FE53D0, 16 bytes long.
 Data: <@Z&#254;&#145;b           > 40 5A FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016291FE56A0, 16 bytes long.
 Data: < Z&#254;&#145;b           > 18 5A FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016291FDF310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000016291FE5650, 16 bytes long.
 Data: <&#240;Y&#254;&#145;b           > F0 59 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016291FDF370, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000016291FE4F20, 16 bytes long.
 Data: <8Y&#254;&#145;b           > 38 59 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016291FE4F70, 16 bytes long.
 Data: < Y&#254;&#145;b           > 10 59 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016291FE4C50, 16 bytes long.
 Data: <&#232;X&#254;&#145;b           > E8 58 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016291FE5790, 16 bytes long.
 Data: <&#192;X&#254;&#145;b           > C0 58 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016291FE4CF0, 16 bytes long.
 Data: < X&#254;&#145;b           > 98 58 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016291FE5600, 16 bytes long.
 Data: <pX&#254;&#145;b           > 70 58 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016291FE4ED0, 16 bytes long.
 Data: < &#220;&#253;&#145;b           > 20 DC FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016291FDDC20, 40 bytes long.
 Data: <&#208;N&#254;&#145;b    &#196;&#214;&#147;b   > D0 4E FE 91 62 01 00 00 20 C4 D6 93 62 01 00 00 
{255} normal block at 0x0000016291FE5290, 16 bytes long.
 Data: <PX&#254;&#145;b           > 50 58 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016291FE4E80, 16 bytes long.
 Data: <(X&#254;&#145;b           > 28 58 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016291FDF190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000016291FE56F0, 16 bytes long.
 Data: < X&#254;&#145;b           > 00 58 FE 91 62 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000016291FE5800, 992 bytes long.
 Data: <&#240;V&#254;&#145;b    &#241;&#253;&#145;b   > F0 56 FE 91 62 01 00 00 90 F1 FD 91 62 01 00 00 
{87} normal block at 0x0000016291FDF130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000016291FD8C70, 16 bytes long.
 Data: <&#208;&#225;&#253;&#145;b           > D0 E1 FD 91 62 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000016291FDE1D0, 40 bytes long.
 Data: <p&#140;&#253;&#145;b   0&#241;&#253;&#145;b   > 70 8C FD 91 62 01 00 00 30 F1 FD 91 62 01 00 00 
{64} normal block at 0x0000016291FD8F40, 16 bytes long.
 Data: < &#234;&#224;&#209;&#247;           > 80 EA E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016291FD8AE0, 16 bytes long.
 Data: <@&#233;&#224;&#209;&#247;           > 40 E9 E0 D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016291FD89F0, 16 bytes long.
 Data: <&#248;W&#221;&#209;&#247;           > F8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016291FD8E50, 16 bytes long.
 Data: <&#216;W&#221;&#209;&#247;           > D8 57 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016291FD94E0, 16 bytes long.
 Data: <P &#221;&#209;&#247;           > 50 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016291FD95D0, 16 bytes long.
 Data: <0 &#221;&#209;&#247;           > 30 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016291FD9760, 16 bytes long.
 Data: <&#224; &#221;&#209;&#247;           > E0 02 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016291FD9580, 16 bytes long.
 Data: <  &#221;&#209;&#247;           > 10 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016291FD8F90, 16 bytes long.
 Data: <p &#221;&#209;&#247;           > 70 04 DD D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016291FD9940, 16 bytes long.
 Data: < &#192;&#219;&#209;&#247;           > 18 C0 DB D1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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