Task 38699145

Name test_347-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5211_0
Workunit 31639576
Created 3 Nov 2026, 16:19:23 UTC
Sent 3 Nov 2026, 16:19:28 UTC
Report deadline 8 Nov 2026, 16:19:28 UTC
Received 4 Nov 2026, 8:05:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 4 min 31 sec
CPU time 56 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 651.67 MB
Peak swap size 2.37 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:02:33 (6724): wrapper (7.9.26016): starting
08:02:33 (6724): 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
08:02:37 (6724): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:02:37 (6724): 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
09:04:31 (6724): C:/Windows/system32/cmd.exe exited; CPU time 3402.906250
09:04:31 (6724): 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: 51249681 bytes.
Dumping objects ->
{3835416} normal block at 0x0000021C5DC013E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x0000021C5DC00EA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x0000021C5DC00FF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x0000021C5DC017D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000021C5DC01A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x0000021C5DCFC8F0, 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) : {3835328} normal block at 0x0000021C5C1B6A10, 8 bytes long.
 Data: <   \    > 00 00 19 5C 1C 02 00 00 
{3833949} normal block at 0x0000021C5C1B5F70, 8 bytes long.
 Data: <@t&#213;]    > 40 74 D5 5D 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021C5C1C0D70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021C5C1BBF30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000021C5C1C2260, 16 bytes long.
 Data: < 4 \            > 18 34 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021C5C1C2800, 16 bytes long.
 Data: <&#240;3 \            > F0 33 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021C5C1BC2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000021C5C1C2620, 16 bytes long.
 Data: <&#200;3 \            > C8 33 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021C5C1C2170, 16 bytes long.
 Data: <&#160;3 \            > A0 33 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021C5C1C27B0, 16 bytes long.
 Data: <x3 \            > 78 33 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021C5C1C2AD0, 16 bytes long.
 Data: <P3 \            > 50 33 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021C5C1BB010, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000021C5C1C1DB0, 16 bytes long.
 Data: <&#200;&#190; \            > C8 BE 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021C5C1BC750, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000021C5C1C2760, 16 bytes long.
 Data: <&#160;&#190; \            > A0 BE 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021C5C1C2A30, 16 bytes long.
 Data: <x&#190; \            > 78 BE 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021C5C1C28F0, 16 bytes long.
 Data: <P&#190; \            > 50 BE 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021C5C1C2120, 16 bytes long.
 Data: <(&#190; \            > 28 BE 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021C5C1C2A80, 16 bytes long.
 Data: < &#190; \            > 00 BE 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021C5C1C2850, 16 bytes long.
 Data: <&#216;  \            > D8 BD 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021C5C1BC210, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000021C5C1C24E0, 16 bytes long.
 Data: <&#176;  \            > B0 BD 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021C5C1BBDB0, 320 bytes long.
 Data: <&#224;$ \     &#194; \    > E0 24 1C 5C 1C 02 00 00 10 C2 1B 5C 1C 02 00 00 
{270} normal block at 0x0000021C5C1C20D0, 16 bytes long.
 Data: <03 \            > 30 33 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021C5C1C28A0, 16 bytes long.
 Data: < 3 \            > 08 33 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021C5C1BC5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000021C5C1C1B80, 16 bytes long.
 Data: <&#224;2 \            > E0 32 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021C5C1BC270, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000021C5C1C2710, 16 bytes long.
 Data: <(2 \            > 28 32 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021C5C1C2580, 16 bytes long.
 Data: < 2 \            > 00 32 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021C5C1C1D10, 16 bytes long.
 Data: <&#216;1 \            > D8 31 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021C5C1C2030, 16 bytes long.
 Data: <&#176;1 \            > B0 31 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021C5C1C1CC0, 16 bytes long.
 Data: < 1 \            > 88 31 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021C5C1C2490, 16 bytes long.
 Data: <`1 \            > 60 31 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021C5C1C1FE0, 16 bytes long.
 Data: <&#160;&#175; \            > A0 AF 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021C5C1BAFA0, 40 bytes long.
 Data: <&#224;  \    &#240;&#200;&#207;]    > E0 1F 1C 5C 1C 02 00 00 F0 C8 CF 5D 1C 02 00 00 
{256} normal block at 0x0000021C5C1C2210, 16 bytes long.
 Data: <@1 \            > 40 31 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021C5C1C1F90, 16 bytes long.
 Data: < 1 \            > 18 31 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021C5C1BCCF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000021C5C1C29E0, 16 bytes long.
 Data: <&#240;0 \            > F0 30 1C 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021C5C1C30F0, 992 bytes long.
 Data: <&#224;) \    &#240;&#204; \    > E0 29 1C 5C 1C 02 00 00 F0 CC 1B 5C 1C 02 00 00 
{88} normal block at 0x0000021C5C1BC6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000021C5C1B6790, 16 bytes long.
 Data: <0&#175; \            > 30 AF 1B 5C 1C 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000021C5C1BAF30, 40 bytes long.
 Data: < g \    &#240;&#198; \    > 90 67 1B 5C 1C 02 00 00 F0 C6 1B 5C 1C 02 00 00 
{65} normal block at 0x0000021C5C1B6420, 16 bytes long.
 Data: < &#234;g&#184;&#247;           > 80 EA 67 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021C5C1B6740, 16 bytes long.
 Data: <@&#233;g&#184;&#247;           > 40 E9 67 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021C5C1B6100, 16 bytes long.
 Data: <&#248;Wd&#184;&#247;           > F8 57 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021C5C1B6E70, 16 bytes long.
 Data: <&#216;Wd&#184;&#247;           > D8 57 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021C5C1B6CE0, 16 bytes long.
 Data: <P d&#184;&#247;           > 50 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021C5C1B6330, 16 bytes long.
 Data: <0 d&#184;&#247;           > 30 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021C5C1B6510, 16 bytes long.
 Data: <&#224; d&#184;&#247;           > E0 02 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021C5C1B6600, 16 bytes long.
 Data: <  d&#184;&#247;           > 10 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021C5C1B6380, 16 bytes long.
 Data: <p d&#184;&#247;           > 70 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021C5C1B6BA0, 16 bytes long.
 Data: < &#192;b&#184;&#247;           > 18 C0 62 B8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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