Task 38699467

Name test_710-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND1983_0
Workunit 31639865
Created 4 Nov 2026, 9:48:49 UTC
Sent 4 Nov 2026, 9:48:51 UTC
Report deadline 9 Nov 2026, 9:48:51 UTC
Received 4 Nov 2026, 13:13:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655011
Run time 1 hours 17 min 53 sec
CPU time 1 hours 11 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.62 MB
Peak swap size 2.32 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:57:12 (5668): wrapper (7.9.26016): starting
12:57:12 (5668): 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
12:57:13 (5668): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:57:13 (5668): 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\0\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\0\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
14:12:09 (5668): C:/Windows/system32/cmd.exe exited; CPU time 4311.546875
14:12:09 (5668): 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: 51247119 bytes.
Dumping objects ->
{3835177} normal block at 0x00000167E05633B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x00000167E0563490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x00000167DEBF0900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835144} normal block at 0x00000167DEBF0890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x00000167DEBF0580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835102} normal block at 0x00000167E066C500, 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) : {3835089} normal block at 0x00000167DEBE70F0, 8 bytes long.
 Data: <  W&#224;g   > 00 00 57 E0 67 01 00 00 
{3833945} normal block at 0x00000167DEBE6EC0, 8 bytes long.
 Data: <`-d&#224;g   > 60 2D 64 E0 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000167DEBF0D30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000167DEBDA960, 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 0x00000167DEBF2090, 16 bytes long.
 Data: <h3&#191;&#222;g           > 68 33 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000167DEBF1F00, 16 bytes long.
 Data: <@3&#191;&#222;g           > 40 33 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000167DEBECE90, 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 0x00000167DEBF1FA0, 16 bytes long.
 Data: < 3&#191;&#222;g           > 18 33 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000167DEBF2A90, 16 bytes long.
 Data: <&#240;2&#191;&#222;g           > F0 32 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000167DEBF29A0, 16 bytes long.
 Data: <&#200;2&#191;&#222;g           > C8 32 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000167DEBF2860, 16 bytes long.
 Data: <&#160;2&#191;&#222;g           > A0 32 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000167DEBF0510, 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 0x00000167DEBF2630, 16 bytes long.
 Data: < &#181; &#222;g           > 18 B5 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000167DEBECD10, 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 0x00000167DEBF29F0, 16 bytes long.
 Data: <&#240;&#180; &#222;g           > F0 B4 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000167DEBF2040, 16 bytes long.
 Data: <&#200;&#180; &#222;g           > C8 B4 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000167DEBF2810, 16 bytes long.
 Data: <&#160;&#180; &#222;g           > A0 B4 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000167DEBF2B30, 16 bytes long.
 Data: <x&#180; &#222;g           > 78 B4 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000167DEBF27C0, 16 bytes long.
 Data: <P&#180; &#222;g           > 50 B4 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000167DEBF2680, 16 bytes long.
 Data: <(&#180; &#222;g           > 28 B4 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000167DEBEC350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000167DEBF2540, 16 bytes long.
 Data: < &#180; &#222;g           > 00 B4 BD DE 67 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000167DEBDB400, 320 bytes long.
 Data: <@%&#191;&#222;g   P&#195;&#190;&#222;g   > 40 25 BF DE 67 01 00 00 50 C3 BE DE 67 01 00 00 
{268} normal block at 0x00000167DEBF2950, 16 bytes long.
 Data: < 2&#191;&#222;g           > 80 32 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000167DEBF1DC0, 16 bytes long.
 Data: <X2&#191;&#222;g           > 58 32 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000167DEBEC5F0, 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 0x00000167DEBF25E0, 16 bytes long.
 Data: <02&#191;&#222;g           > 30 32 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000167DEBEC0B0, 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 0x00000167DEBF2770, 16 bytes long.
 Data: <x1&#191;&#222;g           > 78 31 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000167DEBF2720, 16 bytes long.
 Data: <P1&#191;&#222;g           > 50 31 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000167DEBF2400, 16 bytes long.
 Data: <(1&#191;&#222;g           > 28 31 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000167DEBF24A0, 16 bytes long.
 Data: < 1&#191;&#222;g           > 00 31 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000167DEBF2BD0, 16 bytes long.
 Data: <&#216;0&#191;&#222;g           > D8 30 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000167DEBF1F50, 16 bytes long.
 Data: <&#176;0&#191;&#222;g           > B0 30 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000167DEBF24F0, 16 bytes long.
 Data: <&#176; &#191;&#222;g           > B0 07 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000167DEBF07B0, 40 bytes long.
 Data: <&#240;$&#191;&#222;g    &#197;f&#224;g   > F0 24 BF DE 67 01 00 00 00 C5 66 E0 67 01 00 00 
{254} normal block at 0x00000167DEBF1C80, 16 bytes long.
 Data: < 0&#191;&#222;g           > 90 30 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000167DEBF2AE0, 16 bytes long.
 Data: <h0&#191;&#222;g           > 68 30 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000167DEBEC8F0, 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 0x00000167DEBF26D0, 16 bytes long.
 Data: <@0&#191;&#222;g           > 40 30 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000167DEBF3040, 992 bytes long.
 Data: <&#208;&&#191;&#222;g   &#240;&#200;&#190;&#222;g   > D0 26 BF DE 67 01 00 00 F0 C8 BE DE 67 01 00 00 
{86} normal block at 0x00000167DEBEC710, 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 0x00000167DEBE6790, 16 bytes long.
 Data: <0 &#191;&#222;g           > 30 04 BF DE 67 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000167DEBF0430, 40 bytes long.
 Data: < g&#190;&#222;g    &#199;&#190;&#222;g   > 90 67 BE DE 67 01 00 00 10 C7 BE DE 67 01 00 00 
{63} normal block at 0x00000167DEBE6C40, 16 bytes long.
 Data: < &#234; &#197;&#247;           > 80 EA 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000167DEBE69C0, 16 bytes long.
 Data: <@&#233; &#197;&#247;           > 40 E9 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000167DEBE6E20, 16 bytes long.
 Data: <&#248;W &#197;&#247;           > F8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000167DEBE6330, 16 bytes long.
 Data: <&#216;W &#197;&#247;           > D8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000167DEBE6BA0, 16 bytes long.
 Data: <P  &#197;&#247;           > 50 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000167DEBE61F0, 16 bytes long.
 Data: <0  &#197;&#247;           > 30 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000167DEBE6970, 16 bytes long.
 Data: <&#224;  &#197;&#247;           > E0 02 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000167DEBE6DD0, 16 bytes long.
 Data: <   &#197;&#247;           > 10 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000167DEBE6D30, 16 bytes long.
 Data: <p  &#197;&#247;           > 70 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000167DEBE6B00, 16 bytes long.
 Data: < &#192; &#197;&#247;           > 18 C0 0D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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