Task 38673211

Name test_117-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND9487_0
Workunit 31615307
Created 26 Oct 2026, 1:51:05 UTC
Sent 26 Oct 2026, 1:51:10 UTC
Report deadline 31 Oct 2026, 1:51:10 UTC
Received 26 Oct 2026, 2:50:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642945
Run time 42 min 24 sec
CPU time 40 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 696.09 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:56:47 (3816): wrapper (7.9.26016): starting
10:56:47 (3816): 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
10:56:48 (3816): Library/usr/bin/tar.exe exited; CPU time 0.031250
10:56:48 (3816): 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\9\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\9\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
11:50:14 (3816): C:/Windows/system32/cmd.exe exited; CPU time 2426.906250
11:50:14 (3816): 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: 77415209 bytes.
Dumping objects ->
{3835363} normal block at 0x0000022B68D2A2B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x0000022B68D29EC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x0000022B68D29C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x0000022B68D297C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x0000022B68D29DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x0000022B6AD9B4E0, 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) : {3835275} normal block at 0x0000022B68CFE650, 8 bytes long.
 Data: <   i+   > 00 00 20 69 2B 02 00 00 
{3834073} normal block at 0x0000022B68CFE600, 8 bytes long.
 Data: < &#221;&#206;h+   > A0 DD CE 68 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022B68D01BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022B68CF71D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000022B68D06460, 16 bytes long.
 Data: < r&#208;h+           > E8 72 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022B68D06870, 16 bytes long.
 Data: <&#192;r&#208;h+           > C0 72 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022B68D000B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000022B68D06D20, 16 bytes long.
 Data: < r&#208;h+           > 98 72 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022B68D06DC0, 16 bytes long.
 Data: <pr&#208;h+           > 70 72 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022B68D06EB0, 16 bytes long.
 Data: <Hr&#208;h+           > 48 72 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022B68D067D0, 16 bytes long.
 Data: < r&#208;h+           > 20 72 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022B68D04890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000022B68D06730, 16 bytes long.
 Data: <x &#207;h+           > 78 98 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022B68CFFBD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000022B68D06500, 16 bytes long.
 Data: <P &#207;h+           > 50 98 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022B68D060A0, 16 bytes long.
 Data: <( &#207;h+           > 28 98 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022B68D06820, 16 bytes long.
 Data: <  &#207;h+           > 00 98 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022B68D06050, 16 bytes long.
 Data: <&#216; &#207;h+           > D8 97 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022B68D06280, 16 bytes long.
 Data: <&#176; &#207;h+           > B0 97 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B68D06A50, 16 bytes long.
 Data: <  &#207;h+           > 88 97 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B68CFFF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000022B68D06CD0, 16 bytes long.
 Data: <` &#207;h+           > 60 97 CF 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B68CF9760, 320 bytes long.
 Data: <&#208;l&#208;h+     &#207;h+   > D0 6C D0 68 2B 02 00 00 90 FF CF 68 2B 02 00 00 
{280} normal block at 0x0000022B68D06690, 16 bytes long.
 Data: < r&#208;h+           > 00 72 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022B68D06000, 16 bytes long.
 Data: <&#216;q&#208;h+           > D8 71 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022B68D003B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000022B68D06550, 16 bytes long.
 Data: <&#176;q&#208;h+           > B0 71 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022B68D00350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000022B68D06370, 16 bytes long.
 Data: < p&#208;h+           > F8 70 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022B68D06E60, 16 bytes long.
 Data: <&#208;p&#208;h+           > D0 70 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022B68D06E10, 16 bytes long.
 Data: <&#168;p&#208;h+           > A8 70 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022B68D060F0, 16 bytes long.
 Data: < p&#208;h+           > 80 70 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022B68D06780, 16 bytes long.
 Data: <Xp&#208;h+           > 58 70 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B68D06410, 16 bytes long.
 Data: <0p&#208;h+           > 30 70 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B68D066E0, 16 bytes long.
 Data: <&#176;G&#208;h+           > B0 47 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B68D047B0, 40 bytes long.
 Data: < f&#208;h+    &#180;&#217;j+   > E0 66 D0 68 2B 02 00 00 E0 B4 D9 6A 2B 02 00 00 
{266} normal block at 0x0000022B68D06230, 16 bytes long.
 Data: < p&#208;h+           > 10 70 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022B68D06A00, 16 bytes long.
 Data: < o&#208;h+           > E8 6F D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022B68CFFC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000022B68D06910, 16 bytes long.
 Data: <&#192;o&#208;h+           > C0 6F D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022B68D06FC0, 992 bytes long.
 Data: < i&#208;h+   0 &#207;h+   > 10 69 D0 68 2B 02 00 00 30 FC CF 68 2B 02 00 00 
{98} normal block at 0x0000022B68D00050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000022B68CFDCF0, 16 bytes long.
 Data: < H&#208;h+           > 20 48 D0 68 2B 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000022B68D04820, 40 bytes long.
 Data: < &#220;&#207;h+   P &#208;h+   > F0 DC CF 68 2B 02 00 00 50 00 D0 68 2B 02 00 00 
{73} normal block at 0x0000022B68CFDA70, 16 bytes long.
 Data: <  _             > 80 EA 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022B68CFDCA0, 16 bytes long.
 Data: <@ _             > 40 E9 5F 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022B68CFE420, 16 bytes long.
 Data: < W\             > F8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022B68CFE240, 16 bytes long.
 Data: <&#216;W\             > D8 57 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022B68CFE6F0, 16 bytes long.
 Data: <P \             > 50 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022B68CFE0B0, 16 bytes long.
 Data: <0 \             > 30 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022B68CFDA20, 16 bytes long.
 Data: <  \             > E0 02 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022B68CFE560, 16 bytes long.
 Data: <  \             > 10 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022B68CFDF70, 16 bytes long.
 Data: <p \             > 70 04 5C 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022B68CFE5B0, 16 bytes long.
 Data: < &#192;Z             > 18 C0 5A 0F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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