Task 38688358

Name test_408-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6092_0
Workunit 31629713
Created 28 Oct 2026, 13:21:06 UTC
Sent 28 Oct 2026, 13:21:08 UTC
Report deadline 2 Nov 2026, 13:21:08 UTC
Received 28 Oct 2026, 14:19:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 50 min 41 sec
CPU time 38 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.86 MB
Peak swap size 3.89 GB
Peak disk usage 4.01 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:31:21 (27788): wrapper (7.9.26016): starting
13:31:21 (27788): 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
13:31:26 (27788): Library/usr/bin/tar.exe exited; CPU time 0.031250
13:31:26 (27788): 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
14:19:04 (27788): C:/Windows/system32/cmd.exe exited; CPU time 2328.250000
14:19:04 (27788): 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: 90676839 bytes.
Dumping objects ->
{3835267} normal block at 0x00000269191FECA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x00000269191FEA00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000269191FE990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x00000269191FF3A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000269191FF090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x000002691AFA18D0, 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) : {3835179} normal block at 0x000002691AF56230, 8 bytes long.
 Data: <  &#194; i   > 00 00 C2 1A 69 02 00 00 
{3833969} normal block at 0x000002691AF551F0, 8 bytes long.
 Data: <P?&#245; i   > 50 3F F5 1A 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000269191CD0B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000269191C66D0, 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 0x00000269191D8DE0, 16 bytes long.
 Data: <(&#197;  i           > 28 C5 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000269191D9BA0, 16 bytes long.
 Data: < &#197;  i           > 00 C5 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000269191D5050, 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 0x00000269191D9790, 16 bytes long.
 Data: <&#216;&#196;  i           > D8 C4 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000269191D96A0, 16 bytes long.
 Data: <&#176;&#196;  i           > B0 C4 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000269191D9920, 16 bytes long.
 Data: < &#196;  i           > 88 C4 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000269191D8E80, 16 bytes long.
 Data: <`&#196;  i           > 60 C4 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000269191D72D0, 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 0x00000269191D9510, 16 bytes long.
 Data: <8&#191;  i           > 38 BF 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000269191D5110, 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 0x00000269191D9560, 16 bytes long.
 Data: < &#191;  i           > 10 BF 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000269191D8FC0, 16 bytes long.
 Data: <&#232;&#190;  i           > E8 BE 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000269191D9BF0, 16 bytes long.
 Data: <&#192;&#190;  i           > C0 BE 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000269191D9290, 16 bytes long.
 Data: < &#190;  i           > 98 BE 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000269191D9060, 16 bytes long.
 Data: <p&#190;  i           > 70 BE 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000269191D91F0, 16 bytes long.
 Data: <H&#190;  i           > 48 BE 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000269191D4FF0, 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 0x00000269191D8F20, 16 bytes long.
 Data: < &#190;  i           > 20 BE 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000269191DBE20, 320 bytes long.
 Data: <    i   &#240;O  i   > 20 8F 1D 19 69 02 00 00 F0 4F 1D 19 69 02 00 00 
{280} normal block at 0x00000269191D9880, 16 bytes long.
 Data: <@&#196;  i           > 40 C4 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000269191D8ED0, 16 bytes long.
 Data: < &#196;  i           > 18 C4 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000269191D5A10, 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 0x00000269191D94C0, 16 bytes long.
 Data: <&#240;&#195;  i           > F0 C3 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000269191D50B0, 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 0x00000269191D9650, 16 bytes long.
 Data: <8&#195;  i           > 38 C3 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000269191D9AB0, 16 bytes long.
 Data: < &#195;  i           > 10 C3 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000269191D9B50, 16 bytes long.
 Data: <&#232;&#194;  i           > E8 C2 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000269191D95B0, 16 bytes long.
 Data: <&#192;&#194;  i           > C0 C2 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000269191D93D0, 16 bytes long.
 Data: < &#194;  i           > 98 C2 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000269191D9380, 16 bytes long.
 Data: <p&#194;  i           > 70 C2 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000269191D99C0, 16 bytes long.
 Data: <&#176;s  i           > B0 73 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000269191D73B0, 40 bytes long.
 Data: <&#192;   i   &#208; &#250; i   > C0 99 1D 19 69 02 00 00 D0 18 FA 1A 69 02 00 00 
{266} normal block at 0x00000269191D9D30, 16 bytes long.
 Data: <P&#194;  i           > 50 C2 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000269191D9150, 16 bytes long.
 Data: <(&#194;  i           > 28 C2 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000269191D4ED0, 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 0x00000269191D9A60, 16 bytes long.
 Data: < &#194;  i           > 00 C2 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000269191DC200, 992 bytes long.
 Data: <`&#154;  i   &#208;N  i   > 60 9A 1D 19 69 02 00 00 D0 4E 1D 19 69 02 00 00 
{98} normal block at 0x00000269191D4E10, 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 0x00000269191D9C90, 16 bytes long.
 Data: <0p  i           > 30 70 1D 19 69 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000269191D7030, 40 bytes long.
 Data: < &#156;  i    N  i   > 90 9C 1D 19 69 02 00 00 10 4E 1D 19 69 02 00 00 
{75} normal block at 0x00000269191D90B0, 16 bytes long.
 Data: < &#234;hg&#247;           > 80 EA 68 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000269191CE070, 16 bytes long.
 Data: <@&#233;hg&#247;           > 40 E9 68 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000269191CDBC0, 16 bytes long.
 Data: <&#248;Weg&#247;           > F8 57 65 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000269191CDD50, 16 bytes long.
 Data: <&#216;Weg&#247;           > D8 57 65 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000269191CDB70, 16 bytes long.
 Data: <P eg&#247;           > 50 04 65 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000269191CE0C0, 16 bytes long.
 Data: <0 eg&#247;           > 30 04 65 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000269191CDD00, 16 bytes long.
 Data: <&#224; eg&#247;           > E0 02 65 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000269191CDA80, 16 bytes long.
 Data: <  eg&#247;           > 10 04 65 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000269191CD940, 16 bytes long.
 Data: <p eg&#247;           > 70 04 65 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000269191CD8A0, 16 bytes long.
 Data: < &#192;cg&#247;           > 18 C0 63 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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