Task 38680625

Name test_647-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND9540_0
Workunit 31622336
Created 27 Oct 2026, 0:40:28 UTC
Sent 27 Oct 2026, 0:40:32 UTC
Report deadline 1 Nov 2026, 0:40:32 UTC
Received 27 Oct 2026, 2:05:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632099
Run time 25 min 54 sec
CPU time 25 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,032.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.60 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:58:34 (9008): wrapper (7.9.26016): starting
01:58:34 (9008): 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
01:58:35 (9008): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:58:35 (9008): 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
02:23:34 (9008): C:/Windows/system32/cmd.exe exited; CPU time 1534.234375
02:23:34 (9008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 20010901 bytes.
Dumping objects ->
{3835270} normal block at 0x00000262F0AF6100, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000262F0AF5C30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000262F0AF5BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000262F0AF5B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000262F0AF6640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x00000262F276C300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000262F26F1B50, 160 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) : {3835181} normal block at 0x00000262F0AC6770, 8 bytes long.
 Data: <  &#166;&#240;b   > 00 00 A6 F0 62 02 00 00 
{3834569} normal block at 0x00000262F26F1990, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000262F0AC6900, 8 bytes long.
 Data: <`&#190;&#178;&#240;b   > 60 BE B2 F0 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000262F0AD0FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000262F0AB5D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000262F0AD25B0, 16 bytes long.
 Data: < 6&#173;&#240;b           > 08 36 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000262F0AD2E20, 16 bytes long.
 Data: <&#224;5&#173;&#240;b           > E0 35 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000262F0ACC960, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000262F0AD2560, 16 bytes long.
 Data: <&#184;5&#173;&#240;b           > B8 35 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000262F0AD20B0, 16 bytes long.
 Data: < 5&#173;&#240;b           > 90 35 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000262F0AD2A10, 16 bytes long.
 Data: <h5&#173;&#240;b           > 68 35 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000262F0AD2100, 16 bytes long.
 Data: <@5&#173;&#240;b           > 40 35 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000262F0ACEB10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000262F0AD2150, 16 bytes long.
 Data: < ]&#171;&#240;b           > 18 5D AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000262F0ACCD20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000262F0AD2CE0, 16 bytes long.
 Data: <&#240;\&#171;&#240;b           > F0 5C AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000262F0AD2A60, 16 bytes long.
 Data: <&#200;\&#171;&#240;b           > C8 5C AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000262F0AD2060, 16 bytes long.
 Data: <&#160;\&#171;&#240;b           > A0 5C AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000262F0AD2BF0, 16 bytes long.
 Data: <x\&#171;&#240;b           > 78 5C AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000262F0AD2C40, 16 bytes long.
 Data: <P\&#171;&#240;b           > 50 5C AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000262F0AD2BA0, 16 bytes long.
 Data: <(\&#171;&#240;b           > 28 5C AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000262F0ACD2C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000262F0AD2830, 16 bytes long.
 Data: < \&#171;&#240;b           > 00 5C AB F0 62 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000262F0AB5C00, 320 bytes long.
 Data: <0(&#173;&#240;b   &#192;&#210;&#172;&#240;b   > 30 28 AD F0 62 02 00 00 C0 D2 AC F0 62 02 00 00 
{274} normal block at 0x00000262F0AD2DD0, 16 bytes long.
 Data: < 5&#173;&#240;b           > 20 35 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000262F0AD2C90, 16 bytes long.
 Data: <&#248;4&#173;&#240;b           > F8 34 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000262F0ACD3E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000262F0AD2D80, 16 bytes long.
 Data: <&#208;4&#173;&#240;b           > D0 34 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000262F0ACD260, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000262F0AD2290, 16 bytes long.
 Data: < 4&#173;&#240;b           > 18 34 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000262F0AD2010, 16 bytes long.
 Data: <&#240;3&#173;&#240;b           > F0 33 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000262F0AD1F20, 16 bytes long.
 Data: <&#200;3&#173;&#240;b           > C8 33 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000262F0AD1FC0, 16 bytes long.
 Data: <&#160;3&#173;&#240;b           > A0 33 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000262F0AD27E0, 16 bytes long.
 Data: <x3&#173;&#240;b           > 78 33 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000262F0AD2420, 16 bytes long.
 Data: <P3&#173;&#240;b           > 50 33 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000262F0AD1F70, 16 bytes long.
 Data: < &#238;&#172;&#240;b           > 20 EE AC F0 62 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000262F0ACEE20, 40 bytes long.
 Data: <p &#173;&#240;b    &#195;v&#242;b   > 70 1F AD F0 62 02 00 00 00 C3 76 F2 62 02 00 00 
{260} normal block at 0x00000262F0AD2240, 16 bytes long.
 Data: <03&#173;&#240;b           > 30 33 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000262F0AD2790, 16 bytes long.
 Data: < 3&#173;&#240;b           > 08 33 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000262F0ACD1A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000262F0AD2B50, 16 bytes long.
 Data: <&#224;2&#173;&#240;b           > E0 32 AD F0 62 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000262F0AD32E0, 992 bytes long.
 Data: <P+&#173;&#240;b   &#160;&#209;&#172;&#240;b   > 50 2B AD F0 62 02 00 00 A0 D1 AC F0 62 02 00 00 
{92} normal block at 0x00000262F0ACC900, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000262F0AC68B0, 16 bytes long.
 Data: < &#238;&#172;&#240;b           > 90 EE AC F0 62 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000262F0ACEE90, 40 bytes long.
 Data: <&#176;h&#172;&#240;b    &#201;&#172;&#240;b   > B0 68 AC F0 62 02 00 00 00 C9 AC F0 62 02 00 00 
{69} normal block at 0x00000262F0AC6E00, 16 bytes long.
 Data: < &#234;&#171;&#191;&#246;           > 80 EA AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000262F0AC6860, 16 bytes long.
 Data: <@&#233;&#171;&#191;&#246;           > 40 E9 AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000262F0AC7300, 16 bytes long.
 Data: <&#248;W&#168;&#191;&#246;           > F8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000262F0AC6720, 16 bytes long.
 Data: <&#216;W&#168;&#191;&#246;           > D8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000262F0AC6AE0, 16 bytes long.
 Data: <P &#168;&#191;&#246;           > 50 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000262F0AC6D60, 16 bytes long.
 Data: <0 &#168;&#191;&#246;           > 30 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000262F0AC6CC0, 16 bytes long.
 Data: <&#224; &#168;&#191;&#246;           > E0 02 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000262F0AC6540, 16 bytes long.
 Data: <  &#168;&#191;&#246;           > 10 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000262F0AC7030, 16 bytes long.
 Data: <p &#168;&#191;&#246;           > 70 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000262F0AC72B0, 16 bytes long.
 Data: < &#192;&#166;&#191;&#246;           > 18 C0 A6 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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