Task 38678636

Name test_718-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8620_0
Workunit 31620447
Created 26 Oct 2026, 18:01:35 UTC
Sent 26 Oct 2026, 18:01:38 UTC
Report deadline 31 Oct 2026, 18:01:38 UTC
Received 26 Oct 2026, 18:28:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 25 min 50 sec
CPU time 23 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.81 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:02:41 (20512): wrapper (7.9.26016): starting
15:02:41 (20512): 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
15:02:42 (20512): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:02:42 (20512): 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\7\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\7\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
15:27:50 (20512): C:/Windows/system32/cmd.exe exited; CPU time 1383.968750
15:27:50 (20512): 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: 27427093 bytes.
Dumping objects ->
{3835223} normal block at 0x000002022CE90DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002022CE91330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002022CE91250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000002022CE90D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000002022CE90D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000002022CF8BE00, 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) : {3835135} normal block at 0x000002022B2BC410, 8 bytes long.
 Data: <  y+    > 00 00 79 2B 02 02 00 00 
{3833977} normal block at 0x000002022B2BCD70, 8 bytes long.
 Data: < &#232;&#233;,    > 80 E8 E9 2C 02 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000002022B2BE080, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002022B2B7660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000002022B2C4770, 16 bytes long.
 Data: <&#232;U,+            > E8 55 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002022B2C4310, 16 bytes long.
 Data: <&#192;U,+            > C0 55 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002022B2BEAA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000002022B2C4220, 16 bytes long.
 Data: < U,+            > 98 55 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002022B2C4DB0, 16 bytes long.
 Data: <pU,+            > 70 55 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002022B2C41D0, 16 bytes long.
 Data: <HU,+            > 48 55 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002022B2C42C0, 16 bytes long.
 Data: < U,+            > 20 55 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002022B2BFC70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000002022B2C4180, 16 bytes long.
 Data: <&#168;&#252;*+            > A8 FC 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002022B2BF340, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000002022B2C4B80, 16 bytes long.
 Data: < &#252;*+            > 80 FC 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002022B2C4040, 16 bytes long.
 Data: <X&#252;*+            > 58 FC 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002022B2C3FA0, 16 bytes long.
 Data: <0&#252;*+            > 30 FC 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002022B2C43B0, 16 bytes long.
 Data: < &#252;*+            > 08 FC 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002022B2C4A40, 16 bytes long.
 Data: <&#224;&#251;*+            > E0 FB 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002022B2C4270, 16 bytes long.
 Data: <&#184;&#251;*+            > B8 FB 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002022B2BE5C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000002022B2C49F0, 16 bytes long.
 Data: < &#251;*+            > 90 FB 2A 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002022B2AFB90, 320 bytes long.
 Data: <&#240;I,+    &#192;&#229;++    > F0 49 2C 2B 02 02 00 00 C0 E5 2B 2B 02 02 00 00 
{284} normal block at 0x000002022B2C4950, 16 bytes long.
 Data: < U,+            > 00 55 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002022B2C4900, 16 bytes long.
 Data: <&#216;T,+            > D8 54 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002022B2BE740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000002022B2C4B30, 16 bytes long.
 Data: <&#176;T,+            > B0 54 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002022B2BE860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000002022B2C4540, 16 bytes long.
 Data: <&#248;S,+            > F8 53 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002022B2C48B0, 16 bytes long.
 Data: <&#208;S,+            > D0 53 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002022B2C4720, 16 bytes long.
 Data: <&#168;S,+            > A8 53 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002022B2C3F50, 16 bytes long.
 Data: < S,+            > 80 53 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002022B2C4860, 16 bytes long.
 Data: <XS,+            > 58 53 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002022B2C47C0, 16 bytes long.
 Data: <0S,+            > 30 53 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002022B2C4810, 16 bytes long.
 Data: <@&#250;++            > 40 FA 2B 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002022B2BFA40, 40 bytes long.
 Data: < H,+     &#190;&#248;,    > 10 48 2C 2B 02 02 00 00 00 BE F8 2C 02 02 00 00 
{270} normal block at 0x000002022B2C49A0, 16 bytes long.
 Data: < S,+            > 10 53 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002022B2C4E00, 16 bytes long.
 Data: <&#232;R,+            > E8 52 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002022B2BE560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000002022B2C3F00, 16 bytes long.
 Data: <&#192;R,+            > C0 52 2C 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002022B2C52C0, 992 bytes long.
 Data: < ?,+    `&#229;++    > 00 3F 2C 2B 02 02 00 00 60 E5 2B 2B 02 02 00 00 
{102} normal block at 0x000002022B2BEFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000002022B2BC280, 16 bytes long.
 Data: < &#248;++            > 10 F8 2B 2B 02 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000002022B2BF810, 40 bytes long.
 Data: < &#194;++    &#224;&#239;++    > 80 C2 2B 2B 02 02 00 00 E0 EF 2B 2B 02 02 00 00 
{79} normal block at 0x000002022B2BC5F0, 16 bytes long.
 Data: < &#234;W&#167;&#247;           > 80 EA 57 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002022B2BC230, 16 bytes long.
 Data: <@&#233;W&#167;&#247;           > 40 E9 57 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002022B2BCFA0, 16 bytes long.
 Data: <&#248;WT&#167;&#247;           > F8 57 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002022B2BC1E0, 16 bytes long.
 Data: <&#216;WT&#167;&#247;           > D8 57 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002022B2BC780, 16 bytes long.
 Data: <P T&#167;&#247;           > 50 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002022B2BC730, 16 bytes long.
 Data: <0 T&#167;&#247;           > 30 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002022B2BC190, 16 bytes long.
 Data: <&#224; T&#167;&#247;           > E0 02 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002022B2BCF50, 16 bytes long.
 Data: <  T&#167;&#247;           > 10 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002022B2BCF00, 16 bytes long.
 Data: <p T&#167;&#247;           > 70 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002022B2BC690, 16 bytes long.
 Data: < &#192;R&#167;&#247;           > 18 C0 52 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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