Task 38665490

Name test_723-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND5008_0
Workunit 31608584
Created 25 Oct 2026, 1:07:33 UTC
Sent 25 Oct 2026, 2:38:33 UTC
Report deadline 30 Oct 2026, 2:38:33 UTC
Received 26 Oct 2026, 2:38:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 562809
Run time 1 hours 52 min 43 sec
CPU time 1 hours 46 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 638.18 MB
Peak swap size 5.20 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:48:16 (9708): wrapper (7.9.26016): starting
18:48:16 (9708): 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
18:48:20 (9708): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:48:20 (9708): 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\12\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\12\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
20:37:53 (9708): C:/Windows/system32/cmd.exe exited; CPU time 6402.203125
20:37:53 (9708): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 76629425 bytes.
Dumping objects ->
{3835251} normal block at 0x0000025E4CDF0990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000025E4CDF0BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000025E4CDF1560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x0000025E4CDF0AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000025E4CDF0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x0000025E4CE9C940, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000025E4B2D2C90, 235 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) : {3835162} normal block at 0x0000025E4B2C6DA0, 8 bytes long.
 Data: <  'K^   > 00 00 27 4B 5E 02 00 00 
{3834555} normal block at 0x0000025E4B2D27D0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000025E4B2C70C0, 8 bytes long.
 Data: <&#192; &#224;L^   > C0 10 E0 4C 5E 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000025E4B2CFE90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025E4B2BAE00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000025E4B2D0E80, 16 bytes long.
 Data: < 3-K^           > 98 33 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025E4B2D15B0, 16 bytes long.
 Data: <p3-K^           > 70 33 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025E4B2CC7C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000025E4B2D0D90, 16 bytes long.
 Data: <H3-K^           > 48 33 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025E4B2D0D40, 16 bytes long.
 Data: < 3-K^           > 20 33 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025E4B2D1330, 16 bytes long.
 Data: <&#248;2-K^           > F8 32 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025E4B2D0FC0, 16 bytes long.
 Data: <&#208;2-K^           > D0 32 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025E4B2CB370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000025E4B2D0CF0, 16 bytes long.
 Data: <&#216;Z+K^           > D8 5A 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025E4B2CC880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000025E4B2D0CA0, 16 bytes long.
 Data: <&#176;Z+K^           > B0 5A 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025E4B2D1BF0, 16 bytes long.
 Data: < Z+K^           > 88 5A 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025E4B2D1150, 16 bytes long.
 Data: <`Z+K^           > 60 5A 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025E4B2D1A10, 16 bytes long.
 Data: <8Z+K^           > 38 5A 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025E4B2D12E0, 16 bytes long.
 Data: < Z+K^           > 10 5A 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025E4B2D19C0, 16 bytes long.
 Data: <&#232;Y+K^           > E8 59 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025E4B2CCF40, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x0000025E4B2D0ED0, 16 bytes long.
 Data: <&#192;Y+K^           > C0 59 2B 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025E4B2B59C0, 320 bytes long.
 Data: <&#208; -K^   @&#207;,K^   > D0 0E 2D 4B 5E 02 00 00 40 CF 2C 4B 5E 02 00 00 
{268} normal block at 0x0000025E4B2D1290, 16 bytes long.
 Data: <&#176;2-K^           > B0 32 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025E4B2D1600, 16 bytes long.
 Data: < 2-K^           > 88 32 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025E4B2CD060, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000025E4B2D1240, 16 bytes long.
 Data: <`2-K^           > 60 32 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025E4B2CC520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000025E4B2D0E30, 16 bytes long.
 Data: <&#168;1-K^           > A8 31 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025E4B2D10B0, 16 bytes long.
 Data: < 1-K^           > 80 31 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025E4B2D1B50, 16 bytes long.
 Data: <X1-K^           > 58 31 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025E4B2D1970, 16 bytes long.
 Data: <01-K^           > 30 31 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025E4B2D1470, 16 bytes long.
 Data: < 1-K^           > 08 31 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025E4B2D18D0, 16 bytes long.
 Data: <&#224;0-K^           > E0 30 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025E4B2D1830, 16 bytes long.
 Data: < &#182;,K^           > 80 B6 2C 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025E4B2CB680, 40 bytes long.
 Data: <0 -K^   @&#201;&#233;L^   > 30 18 2D 4B 5E 02 00 00 40 C9 E9 4C 5E 02 00 00 
{254} normal block at 0x0000025E4B2D1880, 16 bytes long.
 Data: <&#192;0-K^           > C0 30 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000025E4B2D0DE0, 16 bytes long.
 Data: < 0-K^           > 98 30 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000025E4B2CCDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000025E4B2D13D0, 16 bytes long.
 Data: <p0-K^           > 70 30 2D 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000025E4B2D3070, 992 bytes long.
 Data: <&#208; -K^   &#192;&#205;,K^   > D0 13 2D 4B 5E 02 00 00 C0 CD 2C 4B 5E 02 00 00 
{86} normal block at 0x0000025E4B2CCBE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000025E4B2C6760, 16 bytes long.
 Data: < &#179;,K^           > 00 B3 2C 4B 5E 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000025E4B2CB300, 40 bytes long.
 Data: <`g,K^   &#224;&#203;,K^   > 60 67 2C 4B 5E 02 00 00 E0 CB 2C 4B 5E 02 00 00 
{63} normal block at 0x0000025E4B2C6670, 16 bytes long.
 Data: < &#234;&&#243;&#247;           > 80 EA 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025E4B2C6A30, 16 bytes long.
 Data: <@&#233;&&#243;&#247;           > 40 E9 26 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025E4B2C6710, 16 bytes long.
 Data: <&#248;W#&#243;&#247;           > F8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025E4B2C6440, 16 bytes long.
 Data: <&#216;W#&#243;&#247;           > D8 57 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025E4B2C6350, 16 bytes long.
 Data: <P #&#243;&#247;           > 50 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000025E4B2C6300, 16 bytes long.
 Data: <0 #&#243;&#247;           > 30 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000025E4B2C6490, 16 bytes long.
 Data: <&#224; #&#243;&#247;           > E0 02 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000025E4B2C6B20, 16 bytes long.
 Data: <  #&#243;&#247;           > 10 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000025E4B2C6C10, 16 bytes long.
 Data: <p #&#243;&#247;           > 70 04 23 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000025E4B2C62B0, 16 bytes long.
 Data: < &#192;!&#243;&#247;           > 18 C0 21 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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