Task 38648338

Name test_162-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND7483_0
Workunit 31593045
Created 23 Oct 2026, 20:38:15 UTC
Sent 24 Oct 2026, 0:39:31 UTC
Report deadline 29 Oct 2026, 0:39:31 UTC
Received 24 Oct 2026, 4:04:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 608883
Run time 23 min 1 sec
CPU time 20 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 795.76 MB
Peak swap size 8.43 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:41:12 (48528): wrapper (7.9.26016): starting
12:41:12 (48528): 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
12:41:17 (48528): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:41:17 (48528): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
13:03:08 (48528): C:/Windows/system32/cmd.exe exited; CPU time 1205.828125
13:03:08 (48528): 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: 41200949 bytes.
Dumping objects ->
{3835407} normal block at 0x000001B673F59CA0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835396} normal block at 0x000001B673F5A100, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000001B673F59FB0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835374} normal block at 0x000001B673F59610, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x000001B673F597D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835332} normal block at 0x000001B675EB82C0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835319} normal block at 0x000001B673F2DB00, 8 bytes long.
 Data: <   s&#182;   > 00 00 EC 73 B6 01 00 00 
{3834093} normal block at 0x000001B673F2E190, 8 bytes long.
 Data: <  &#165;u&#182;   > 10 E4 A5 75 B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x000001B673F322A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001B673F26E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x000001B673F36E40, 16 bytes long.
 Data: <hs s&#182;           > 68 73 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001B673F36F30, 16 bytes long.
 Data: <@s s&#182;           > 40 73 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001B673F2FC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x000001B673F36C10, 16 bytes long.
 Data: < s s&#182;           > 18 73 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001B673F36BC0, 16 bytes long.
 Data: < r s&#182;           > F0 72 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001B673F36260, 16 bytes long.
 Data: <&#200;r s&#182;           > C8 72 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B673F36AD0, 16 bytes long.
 Data: < r s&#182;           > A0 72 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B673F30EC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x000001B673F36B70, 16 bytes long.
 Data: <H  s&#182;           > 48 F6 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B673F30740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x000001B673F36990, 16 bytes long.
 Data: <   s&#182;           > 20 F6 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B673F36800, 16 bytes long.
 Data: <   s&#182;           > F8 F5 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B673F36530, 16 bytes long.
 Data: <&#208;  s&#182;           > D0 F5 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B673F369E0, 16 bytes long.
 Data: <&#168;  s&#182;           > A8 F5 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B673F36C60, 16 bytes long.
 Data: <   s&#182;           > 80 F5 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B673F36210, 16 bytes long.
 Data: <X  s&#182;           > 58 F5 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B673F30680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{287} normal block at 0x000001B673F368A0, 16 bytes long.
 Data: <0  s&#182;           > 30 F5 F2 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B673F2F530, 320 bytes long.
 Data: < h s&#182;      s&#182;   > A0 68 F3 73 B6 01 00 00 80 06 F3 73 B6 01 00 00 
{285} normal block at 0x000001B673F36DF0, 16 bytes long.
 Data: < r s&#182;           > 80 72 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B673F36170, 16 bytes long.
 Data: <Xr s&#182;           > 58 72 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B673F2FB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x000001B673F367B0, 16 bytes long.
 Data: <0r s&#182;           > 30 72 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B673F2FEA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x000001B673F36940, 16 bytes long.
 Data: <xq s&#182;           > 78 71 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B673F36760, 16 bytes long.
 Data: <Pq s&#182;           > 50 71 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B673F36850, 16 bytes long.
 Data: <(q s&#182;           > 28 71 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B673F36A30, 16 bytes long.
 Data: < q s&#182;           > 00 71 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B673F36B20, 16 bytes long.
 Data: <&#216;p s&#182;           > D8 70 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B673F363A0, 16 bytes long.
 Data: <&#176;p s&#182;           > B0 70 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B673F362B0, 16 bytes long.
 Data: <`  s&#182;           > 60 0A F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B673F30A60, 40 bytes long.
 Data: <&#176;b s&#182;   &#192;  u&#182;   > B0 62 F3 73 B6 01 00 00 C0 82 EB 75 B6 01 00 00 
{271} normal block at 0x000001B673F363F0, 16 bytes long.
 Data: < p s&#182;           > 90 70 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B673F36120, 16 bytes long.
 Data: <hp s&#182;           > 68 70 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B673F2FAE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x000001B673F36D50, 16 bytes long.
 Data: <@p s&#182;           > 40 70 F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B673F37040, 992 bytes long.
 Data: <Pm s&#182;      s&#182;   > 50 6D F3 73 B6 01 00 00 E0 FA F2 73 B6 01 00 00 
{103} normal block at 0x000001B673F305C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x000001B673F2E140, 16 bytes long.
 Data: <@  s&#182;           > 40 0B F3 73 B6 01 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x000001B673F30B40, 40 bytes long.
 Data: <@  s&#182;   &#192;  s&#182;   > 40 E1 F2 73 B6 01 00 00 C0 05 F3 73 B6 01 00 00 
{78} normal block at 0x000001B673F2E0F0, 16 bytes long.
 Data: <  g7            > 80 EA 67 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001B673F2E2D0, 16 bytes long.
 Data: <@ g7            > 40 E9 67 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001B673F2E410, 16 bytes long.
 Data: < Wd7            > F8 57 64 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001B673F2DDD0, 16 bytes long.
 Data: <&#216;Wd7            > D8 57 64 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001B673F2E320, 16 bytes long.
 Data: <P d7            > 50 04 64 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001B673F2DD30, 16 bytes long.
 Data: <0 d7            > 30 04 64 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B673F2DC40, 16 bytes long.
 Data: <  d7            > E0 02 64 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B673F2DC90, 16 bytes long.
 Data: <  d7            > 10 04 64 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B673F2D9C0, 16 bytes long.
 Data: <p d7            > 70 04 64 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B673F2DB50, 16 bytes long.
 Data: < &#192;b7            > 18 C0 62 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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