Task 38685969

Name test_946-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4737_0
Workunit 31627421
Created 27 Oct 2026, 23:56:42 UTC
Sent 27 Oct 2026, 23:56:44 UTC
Report deadline 1 Nov 2026, 23:56:44 UTC
Received 28 Oct 2026, 2:40:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652367
Run time 1 hours 35 min 15 sec
CPU time 1 hours 29 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,724.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.20 MB
Peak swap size 13.00 GB
Peak disk usage 3.46 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:06:21 (18980): wrapper (7.9.26016): starting
04:06:21 (18980): 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
04:06:23 (18980): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:06:23 (18980): 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
05:39:02 (18980): C:/Windows/system32/cmd.exe exited; CPU time 5389.359375
05:39:02 (18980): 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: 124613353 bytes.
Dumping objects ->
{3835530} normal block at 0x0000018E3040A680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835519} normal block at 0x0000018E3040A450, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000018E3040A3E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835497} normal block at 0x0000018E303E5130, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x0000018E303E5210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835455} normal block at 0x0000018E322881A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835444} normal block at 0x0000018E3229E700, 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) : {3835441} normal block at 0x0000018E303DE720, 8 bytes long.
 Data: <   0&#142;   > 00 00 9D 30 8E 01 00 00 
{3834698} normal block at 0x0000018E3229E7B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000018E303DE7C0, 8 bytes long.
 Data: <&#208;5.2&#142;   > D0 35 2E 32 8E 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018E303E2700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018E303D0730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000018E303E5D20, 16 bytes long.
 Data: < p>0&#142;           > 08 70 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018E303E6450, 16 bytes long.
 Data: <&#224;o>0&#142;           > E0 6F 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018E303E06D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000018E303E67C0, 16 bytes long.
 Data: <&#184;o>0&#142;           > B8 6F 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018E303E6360, 16 bytes long.
 Data: < o>0&#142;           > 90 6F 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018E303E6310, 16 bytes long.
 Data: <ho>0&#142;           > 68 6F 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018E303E6950, 16 bytes long.
 Data: <@o>0&#142;           > 40 6F 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018E303E53D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000018E303E6A90, 16 bytes long.
 Data: <&#168;&#188;<0&#142;           > A8 BC 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018E303DFEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000018E303E6180, 16 bytes long.
 Data: < &#188;<0&#142;           > 80 BC 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018E303E65E0, 16 bytes long.
 Data: <X&#188;<0&#142;           > 58 BC 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018E303E62C0, 16 bytes long.
 Data: <0&#188;<0&#142;           > 30 BC 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018E303E6680, 16 bytes long.
 Data: < &#188;<0&#142;           > 08 BC 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018E303E6720, 16 bytes long.
 Data: <&#224;&#187;<0&#142;           > E0 BB 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018E303E6C70, 16 bytes long.
 Data: <&#184;&#187;<0&#142;           > B8 BB 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018E303E0130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000018E303E6400, 16 bytes long.
 Data: < &#187;<0&#142;           > 90 BB 3C 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018E303CBB90, 320 bytes long.
 Data: < d>0&#142;   0 >0&#142;   > 00 64 3E 30 8E 01 00 00 30 01 3E 30 8E 01 00 00 
{280} normal block at 0x0000018E303E6540, 16 bytes long.
 Data: < o>0&#142;           > 20 6F 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018E303E6220, 16 bytes long.
 Data: <&#248;n>0&#142;           > F8 6E 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018E303E0430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000018E303E6590, 16 bytes long.
 Data: <&#208;n>0&#142;           > D0 6E 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018E303DFB30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000018E303E6B30, 16 bytes long.
 Data: < n>0&#142;           > 18 6E 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018E303E6A40, 16 bytes long.
 Data: <&#240;m>0&#142;           > F0 6D 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018E303E6130, 16 bytes long.
 Data: <&#200;m>0&#142;           > C8 6D 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018E303E5DC0, 16 bytes long.
 Data: <&#160;m>0&#142;           > A0 6D 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018E303E5E60, 16 bytes long.
 Data: <xm>0&#142;           > 78 6D 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018E303E60E0, 16 bytes long.
 Data: <Pm>0&#142;           > 50 6D 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018E303E6900, 16 bytes long.
 Data: < V>0&#142;           > 00 56 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018E303E5600, 40 bytes long.
 Data: < i>0&#142;   &#160; (2&#142;   > 00 69 3E 30 8E 01 00 00 A0 81 28 32 8E 01 00 00 
{266} normal block at 0x0000018E303E5F50, 16 bytes long.
 Data: <0m>0&#142;           > 30 6D 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018E303E6270, 16 bytes long.
 Data: < m>0&#142;           > 08 6D 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018E303E0190, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000018E303E63B0, 16 bytes long.
 Data: <&#224;l>0&#142;           > E0 6C 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018E303E6CE0, 992 bytes long.
 Data: <&#176;c>0&#142;     >0&#142;   > B0 63 3E 30 8E 01 00 00 90 01 3E 30 8E 01 00 00 
{98} normal block at 0x0000018E303E05B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000018E303DE360, 16 bytes long.
 Data: <`S>0&#142;           > 60 53 3E 30 8E 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000018E303E5360, 40 bytes long.
 Data: <`&#227;=0&#142;   &#176; >0&#142;   > 60 E3 3D 30 8E 01 00 00 B0 05 3E 30 8E 01 00 00 
{75} normal block at 0x0000018E303DE2C0, 16 bytes long.
 Data: < &#234; Z&#247;           > 80 EA 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000018E303DE400, 16 bytes long.
 Data: <@&#233; Z&#247;           > 40 E9 19 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000018E303DE4A0, 16 bytes long.
 Data: <&#248;W Z&#247;           > F8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018E303DDFF0, 16 bytes long.
 Data: <&#216;W Z&#247;           > D8 57 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018E303DE090, 16 bytes long.
 Data: <P  Z&#247;           > 50 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018E303DD9B0, 16 bytes long.
 Data: <0  Z&#247;           > 30 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018E303DE3B0, 16 bytes long.
 Data: <&#224;  Z&#247;           > E0 02 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018E303DE040, 16 bytes long.
 Data: <   Z&#247;           > 10 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018E303DE220, 16 bytes long.
 Data: <p  Z&#247;           > 70 04 16 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018E303DDF00, 16 bytes long.
 Data: < &#192; Z&#247;           > 18 C0 14 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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