Task 38672994

Name test_332-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3019_0
Workunit 31615101
Created 26 Oct 2026, 1:10:29 UTC
Sent 26 Oct 2026, 1:10:40 UTC
Report deadline 31 Oct 2026, 1:10:40 UTC
Received 26 Oct 2026, 1:54:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619058
Run time 20 min 26 sec
CPU time 19 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.59 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:34:58 (10696): wrapper (7.9.26016): starting
19:34:58 (10696): 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
19:34:59 (10696): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:34:59 (10696): 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\6\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\6\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
19:54:21 (10696): C:/Windows/system32/cmd.exe exited; CPU time 1149.578125
19:54:21 (10696): 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: 29607757 bytes.
Dumping objects ->
{3835217} normal block at 0x0000026D1A625A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000026D1A625990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000026D1A625920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x0000026D1A6256F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x0000026D1A625530, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x0000026D1C3DC890, 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) : {3835129} normal block at 0x0000026D1A61DCC0, 8 bytes long.
 Data: <  \ m   > 00 00 5C 1A 6D 02 00 00 
{3833963} normal block at 0x0000026D1A61DBD0, 8 bytes long.
 Data: <  6 m   > 80 11 36 1C 6D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026D1A621DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026D1A616EE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000026D1A626330, 16 bytes long.
 Data: < tb m           > 88 74 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026D1A626380, 16 bytes long.
 Data: <`tb m           > 60 74 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026D1A620E60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000026D1A626E20, 16 bytes long.
 Data: <8tb m           > 38 74 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026D1A626240, 16 bytes long.
 Data: < tb m           > 10 74 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026D1A626F60, 16 bytes long.
 Data: <&#232;sb m           > E8 73 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026D1A626DD0, 16 bytes long.
 Data: <&#192;sb m           > C0 73 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026D1A6257D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000026D1A6261A0, 16 bytes long.
 Data: <&#232; a m           > E8 98 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026D1A620260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000026D1A626420, 16 bytes long.
 Data: <&#192; a m           > C0 98 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026D1A6261F0, 16 bytes long.
 Data: <  a m           > 98 98 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026D1A626510, 16 bytes long.
 Data: <p a m           > 70 98 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026D1A627050, 16 bytes long.
 Data: <H a m           > 48 98 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026D1A626600, 16 bytes long.
 Data: <  a m           > 20 98 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026D1A626560, 16 bytes long.
 Data: <&#248;&#151;a m           > F8 97 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026D1A6202C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000026D1A626D80, 16 bytes long.
 Data: <&#208;&#151;a m           > D0 97 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026D1A6197D0, 320 bytes long.
 Data: < mb m   &#192; b m   > 80 6D 62 1A 6D 02 00 00 C0 02 62 1A 6D 02 00 00 
{277} normal block at 0x0000026D1A6263D0, 16 bytes long.
 Data: <&#160;sb m           > A0 73 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026D1A626830, 16 bytes long.
 Data: <xsb m           > 78 73 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026D1A620BC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000026D1A626F10, 16 bytes long.
 Data: <Psb m           > 50 73 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026D1A620140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000026D1A626AB0, 16 bytes long.
 Data: < rb m           > 98 72 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026D1A626290, 16 bytes long.
 Data: <prb m           > 70 72 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026D1A627000, 16 bytes long.
 Data: <Hrb m           > 48 72 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026D1A6264C0, 16 bytes long.
 Data: < rb m           > 20 72 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026D1A6267E0, 16 bytes long.
 Data: <&#248;qb m           > F8 71 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026D1A626880, 16 bytes long.
 Data: <&#208;qb m           > D0 71 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026D1A626A60, 16 bytes long.
 Data: <@Xb m           > 40 58 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026D1A625840, 40 bytes long.
 Data: <`jb m    &#200;= m   > 60 6A 62 1A 6D 02 00 00 90 C8 3D 1C 6D 02 00 00 
{263} normal block at 0x0000026D1A6262E0, 16 bytes long.
 Data: <&#176;qb m           > B0 71 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026D1A6270A0, 16 bytes long.
 Data: < qb m           > 88 71 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026D1A620B00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000026D1A626A10, 16 bytes long.
 Data: <`qb m           > 60 71 62 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026D1A627160, 992 bytes long.
 Data: < jb m     b m   > 10 6A 62 1A 6D 02 00 00 00 0B 62 1A 6D 02 00 00 
{95} normal block at 0x0000026D1A6207A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000026D1A61E1C0, 16 bytes long.
 Data: <@&#250;a m           > 40 FA 61 1A 6D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026D1A61FA40, 40 bytes long.
 Data: <&#192;&#225;a m   &#160; b m   > C0 E1 61 1A 6D 02 00 00 A0 07 62 1A 6D 02 00 00 
{72} normal block at 0x0000026D1A61E440, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026D1A61DAE0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026D1A61E2B0, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026D1A61E580, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026D1A61E120, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026D1A61E670, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026D1A61E300, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026D1A61DA40, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026D1A61E5D0, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026D1A61DA90, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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