Task 38662509

Name test_129-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND0918_0
Workunit 31605761
Created 24 Oct 2026, 19:27:39 UTC
Sent 24 Oct 2026, 19:28:02 UTC
Report deadline 29 Oct 2026, 19:28:02 UTC
Received 24 Oct 2026, 21:16:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654134
Run time 46 min 12 sec
CPU time 42 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,827.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 508.44 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:30:30 (48324): wrapper (7.9.26016): starting
14:30:30 (48324): 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
14:30:34 (48324): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:30:34 (48324): 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
15:15:22 (48324): C:/Windows/system32/cmd.exe exited; CPU time 2547.593750
15:15:22 (48324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 64156797 bytes.
Dumping objects ->
{3835490} normal block at 0x0000021EAD5A5880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000021EAD5A5B90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000021EAD5A5B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835457} normal block at 0x0000021EAD5A5AB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000021EAD5A59D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835415} normal block at 0x0000021EAF3A6CB0, 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) : {3835402} normal block at 0x0000021EAD59FF20, 8 bytes long.
 Data: <  &#169;&#173;    > 00 00 A9 AD 1E 02 00 00 
{3833961} normal block at 0x0000021EAD59F570, 8 bytes long.
 Data: <&#224;&#215;@&#175;    > E0 D7 40 AF 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021EAD5A20B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021EAD596AB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000021EAD5A61F0, 16 bytes long.
 Data: < oZ&#173;            > 88 6F 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021EAD5A6AB0, 16 bytes long.
 Data: <`oZ&#173;            > 60 6F 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021EAD59E180, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000021EAD5A6380, 16 bytes long.
 Data: <8oZ&#173;            > 38 6F 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021EAD5A6650, 16 bytes long.
 Data: < oZ&#173;            > 10 6F 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021EAD5A5E80, 16 bytes long.
 Data: <&#232;nZ&#173;            > E8 6E 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021EAD5A6470, 16 bytes long.
 Data: <&#192;nZ&#173;            > C0 6E 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021EAD5A5570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000021EAD5A6BA0, 16 bytes long.
 Data: <X&#244;Y&#173;            > 58 F4 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021EAD59DA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000021EAD5A6560, 16 bytes long.
 Data: <0&#244;Y&#173;            > 30 F4 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021EAD5A6010, 16 bytes long.
 Data: < &#244;Y&#173;            > 08 F4 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021EAD5A6830, 16 bytes long.
 Data: <&#224;&#243;Y&#173;            > E0 F3 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021EAD5A61A0, 16 bytes long.
 Data: <&#184;&#243;Y&#173;            > B8 F3 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021EAD5A6A60, 16 bytes long.
 Data: < &#243;Y&#173;            > 90 F3 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021EAD5A6BF0, 16 bytes long.
 Data: <h&#243;Y&#173;            > 68 F3 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021EAD59DC40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000021EAD5A64C0, 16 bytes long.
 Data: <@&#243;Y&#173;            > 40 F3 59 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021EAD59F340, 320 bytes long.
 Data: <&#192;dZ&#173;    @&#220;Y&#173;    > C0 64 5A AD 1E 02 00 00 40 DC 59 AD 1E 02 00 00 
{276} normal block at 0x0000021EAD5A6150, 16 bytes long.
 Data: <&#160;nZ&#173;            > A0 6E 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021EAD5A5ED0, 16 bytes long.
 Data: <xnZ&#173;            > 78 6E 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021EAD59DBE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000021EAD5A6330, 16 bytes long.
 Data: <PnZ&#173;            > 50 6E 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021EAD59DB80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000021EAD5A5CF0, 16 bytes long.
 Data: < mZ&#173;            > 98 6D 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021EAD5A6A10, 16 bytes long.
 Data: <pmZ&#173;            > 70 6D 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021EAD5A6290, 16 bytes long.
 Data: <HmZ&#173;            > 48 6D 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021EAD5A5FC0, 16 bytes long.
 Data: < mZ&#173;            > 20 6D 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021EAD5A6240, 16 bytes long.
 Data: <&#248;lZ&#173;            > F8 6C 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021EAD5A6920, 16 bytes long.
 Data: <&#208;lZ&#173;            > D0 6C 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021EAD5A6060, 16 bytes long.
 Data: < UZ&#173;            > 00 55 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021EAD5A5500, 40 bytes long.
 Data: <``Z&#173;    &#176;l:&#175;    > 60 60 5A AD 1E 02 00 00 B0 6C 3A AF 1E 02 00 00 
{262} normal block at 0x0000021EAD5A5E30, 16 bytes long.
 Data: <&#176;lZ&#173;            > B0 6C 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021EAD5A69C0, 16 bytes long.
 Data: < lZ&#173;            > 88 6C 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021EAD59E000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000021EAD5A6970, 16 bytes long.
 Data: <`lZ&#173;            > 60 6C 5A AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021EAD5A6C60, 992 bytes long.
 Data: <piZ&#173;     &#224;Y&#173;    > 70 69 5A AD 1E 02 00 00 00 E0 59 AD 1E 02 00 00 
{94} normal block at 0x0000021EAD59DA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000021EAD5A0290, 16 bytes long.
 Data: <&#224;&#229;X&#173;            > E0 E5 58 AD 1E 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021EAD58E5E0, 40 bytes long.
 Data: <  Z&#173;    `&#218;Y&#173;    > 90 02 5A AD 1E 02 00 00 60 DA 59 AD 1E 02 00 00 
{71} normal block at 0x0000021EAD59F610, 16 bytes long.
 Data: < &#234;&#156; &#247;           > 80 EA 9C 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021EAD59FC00, 16 bytes long.
 Data: <@&#233;&#156; &#247;           > 40 E9 9C 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021EAD59FA70, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 99 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021EAD59F840, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 99 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021EAD59F700, 16 bytes long.
 Data: <P   &#247;           > 50 04 99 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021EAD5A01F0, 16 bytes long.
 Data: <0   &#247;           > 30 04 99 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021EAD59FCF0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 99 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021EAD5A02E0, 16 bytes long.
 Data: <    &#247;           > 10 04 99 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021EAD5A0100, 16 bytes long.
 Data: <p   &#247;           > 70 04 99 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021EAD59F5C0, 16 bytes long.
 Data: < &#192;&#151; &#247;           > 18 C0 97 14 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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