Task 38676781

Name test_779-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4924_0
Workunit 31618679
Created 26 Oct 2026, 12:21:26 UTC
Sent 26 Oct 2026, 12:21:32 UTC
Report deadline 31 Oct 2026, 12:21:32 UTC
Received 26 Oct 2026, 12:42:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 17 min 49 sec
CPU time 17 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.74 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:25:10 (15460): wrapper (7.9.26016): starting
13:25:10 (15460): 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
13:25:11 (15460): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:25:11 (15460): 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\1\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\1\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
13:42:22 (15460): C:/Windows/system32/cmd.exe exited; CPU time 1024.984375
13:42:22 (15460): 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: 16387331 bytes.
Dumping objects ->
{3835247} normal block at 0x00000213805D8860, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000213805D8550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000213805D8BE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x00000213805D8A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000213805D89B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x00000213822AAE20, 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) : {3835159} normal block at 0x00000213805CF310, 8 bytes long.
 Data: <  Z     > 00 00 5A 80 13 02 00 00 
{3833965} normal block at 0x00000213805CF4F0, 8 bytes long.
 Data: <`&#230;j     > 60 E6 6A 80 13 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000213805D2A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000213805C7380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000213805D9D50, 16 bytes long.
 Data: < &#164;]             > 08 A4 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000213805D9B20, 16 bytes long.
 Data: <&#224;&#163;]             > E0 A3 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000213805D0F90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000213805D9580, 16 bytes long.
 Data: <&#184;&#163;]             > B8 A3 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000213805D9800, 16 bytes long.
 Data: < &#163;]             > 90 A3 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000213805D9D00, 16 bytes long.
 Data: <h&#163;]             > 68 A3 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000213805D9DA0, 16 bytes long.
 Data: <@&#163;]             > 40 A3 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000213805D86A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000213805D9530, 16 bytes long.
 Data: <(&#142;]             > 28 8E 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000213805D1530, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000213805D9710, 16 bytes long.
 Data: < &#142;]             > 00 8E 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000213805D92B0, 16 bytes long.
 Data: <&#216;&#141;]             > D8 8D 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000213805D9620, 16 bytes long.
 Data: <&#176;&#141;]             > B0 8D 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000213805D9670, 16 bytes long.
 Data: < &#141;]             > 88 8D 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000213805D9490, 16 bytes long.
 Data: <`&#141;]             > 60 8D 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000213805D94E0, 16 bytes long.
 Data: <8&#141;]             > 38 8D 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000213805D1650, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000213805D9440, 16 bytes long.
 Data: < &#141;]             > 10 8D 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000213805D8D10, 320 bytes long.
 Data: <@&#148;]     P ]     > 40 94 5D 80 13 02 00 00 50 16 5D 80 13 02 00 00 
{278} normal block at 0x00000213805D9260, 16 bytes long.
 Data: < &#163;]             > 20 A3 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000213805D9DF0, 16 bytes long.
 Data: <&#248; ]             > F8 A2 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000213805D1170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000213805DA020, 16 bytes long.
 Data: <&#208; ]             > D0 A2 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000213805D0F30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000213805D98A0, 16 bytes long.
 Data: <  ]             > 18 A2 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000213805D9210, 16 bytes long.
 Data: <&#240; ]             > F0 A1 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000213805D98F0, 16 bytes long.
 Data: <&#200; ]             > C8 A1 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000213805D9350, 16 bytes long.
 Data: <&#160; ]             > A0 A1 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000213805D9CB0, 16 bytes long.
 Data: <x ]             > 78 A1 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000213805D96C0, 16 bytes long.
 Data: <P ]             > 50 A1 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000213805D9A30, 16 bytes long.
 Data: <0&#134;]             > 30 86 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000213805D8630, 40 bytes long.
 Data: <0&#154;]      &#174;*&#130;    > 30 9A 5D 80 13 02 00 00 20 AE 2A 82 13 02 00 00 
{264} normal block at 0x00000213805D9E90, 16 bytes long.
 Data: <0 ]             > 30 A1 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000213805D93F0, 16 bytes long.
 Data: <  ]             > 08 A1 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000213805D10B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000213805D9AD0, 16 bytes long.
 Data: <&#224;&#160;]             > E0 A0 5D 80 13 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000213805DA0E0, 992 bytes long.
 Data: <&#208;&#154;]     &#176; ]     > D0 9A 5D 80 13 02 00 00 B0 10 5D 80 13 02 00 00 
{96} normal block at 0x00000213805D1470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000213805CE820, 16 bytes long.
 Data: < &#201;[             > 00 C9 5B 80 13 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000213805BC900, 40 bytes long.
 Data: < &#232;\     p ]     > 20 E8 5C 80 13 02 00 00 70 14 5D 80 13 02 00 00 
{73} normal block at 0x00000213805CE690, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000213805CEF00, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000213805CF450, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000213805CEC80, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000213805CE8C0, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000213805CEE10, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000213805CE960, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000213805CEDC0, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000213805CE730, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000213805CF2C0, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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