Task 38674881

Name test_895-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3067_0
Workunit 31616885
Created 26 Oct 2026, 6:35:15 UTC
Sent 26 Oct 2026, 6:35:16 UTC
Report deadline 31 Oct 2026, 6:35:16 UTC
Received 26 Oct 2026, 9:32:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 2 hours 7 min 13 sec
CPU time 1 hours 32 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 753.66 MB
Peak swap size 9.22 GB
Peak disk usage 3.59 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:22:20 (24672): wrapper (7.9.26016): starting
16:22:20 (24672): 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
16:22:27 (24672): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:22:27 (24672): 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
18:28:09 (24672): C:/Windows/system32/cmd.exe exited; CPU time 5540.531250
18:28:09 (24672): 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: 101371207 bytes.
Dumping objects ->
{3835555} normal block at 0x000001C015634BB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x000001C015634B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x000001C015634520, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x000001C0156349F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x000001C015634830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x000001C0176B6AB0, 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) : {3835467} normal block at 0x000001C01562DFB0, 8 bytes long.
 Data: <  _ &#192;   > 00 00 5F 15 C0 01 00 00 
{3834045} normal block at 0x000001C01562ED20, 8 bytes long.
 Data: <&#176; & &#192;   > B0 E8 26 17 C0 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C015630CA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C015625840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001C0156359A0, 16 bytes long.
 Data: < bc &#192;           > 88 62 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C015635B80, 16 bytes long.
 Data: <`bc &#192;           > 60 62 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C01562EF90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001C015635040, 16 bytes long.
 Data: <8bc &#192;           > 38 62 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C015635D60, 16 bytes long.
 Data: < bc &#192;           > 10 62 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C015635CC0, 16 bytes long.
 Data: < ac &#192;           > E8 61 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C015634FF0, 16 bytes long.
 Data: <&#192;ac &#192;           > C0 61 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C015634750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001C0156354A0, 16 bytes long.
 Data: <HCc &#192;           > 48 43 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C01562F590, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001C0156356D0, 16 bytes long.
 Data: < Cc &#192;           > 20 43 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C015635630, 16 bytes long.
 Data: < Bc &#192;           > F8 42 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C015635C20, 16 bytes long.
 Data: <&#208;Bc &#192;           > D0 42 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C015635A40, 16 bytes long.
 Data: <&#168;Bc &#192;           > A8 42 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C015634FA0, 16 bytes long.
 Data: < Bc &#192;           > 80 42 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C015635BD0, 16 bytes long.
 Data: <XBc &#192;           > 58 42 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C01562F1D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001C015635E50, 16 bytes long.
 Data: <0Bc &#192;           > 30 42 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C015634230, 320 bytes long.
 Data: <P^c &#192;   &#208; b &#192;   > 50 5E 63 15 C0 01 00 00 D0 F1 62 15 C0 01 00 00 
{273} normal block at 0x000001C015635EF0, 16 bytes long.
 Data: < ac &#192;           > A0 61 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C015635590, 16 bytes long.
 Data: <xac &#192;           > 78 61 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C01562FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001C015635400, 16 bytes long.
 Data: <Pac &#192;           > 50 61 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C01562EED0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001C0156358B0, 16 bytes long.
 Data: < `c &#192;           > 98 60 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C015635B30, 16 bytes long.
 Data: <p`c &#192;           > 70 60 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C015635900, 16 bytes long.
 Data: <H`c &#192;           > 48 60 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C015635810, 16 bytes long.
 Data: < `c &#192;           > 20 60 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C0156350E0, 16 bytes long.
 Data: < _c &#192;           > F8 5F 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C015635C70, 16 bytes long.
 Data: <&#208;_c &#192;           > D0 5F 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C0156353B0, 16 bytes long.
 Data: <&#192;Gc &#192;           > C0 47 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C0156347C0, 40 bytes long.
 Data: <&#176;Sc &#192;   &#176;jk &#192;   > B0 53 63 15 C0 01 00 00 B0 6A 6B 17 C0 01 00 00 
{259} normal block at 0x000001C015635270, 16 bytes long.
 Data: <&#176;_c &#192;           > B0 5F 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C015635680, 16 bytes long.
 Data: < _c &#192;           > 88 5F 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C01562F170, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001C015635310, 16 bytes long.
 Data: <`_c &#192;           > 60 5F 63 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C015635F60, 992 bytes long.
 Data: < Sc &#192;   p b &#192;   > 10 53 63 15 C0 01 00 00 70 F1 62 15 C0 01 00 00 
{91} normal block at 0x000001C01562F4D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001C01562E4B0, 16 bytes long.
 Data: < @b &#192;           > E0 40 62 15 C0 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001C0156240E0, 40 bytes long.
 Data: <&#176; b &#192;   &#208; b &#192;   > B0 E4 62 15 C0 01 00 00 D0 F4 62 15 C0 01 00 00 
{66} normal block at 0x000001C01562EE10, 16 bytes long.
 Data: <   `            > 80 EA 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C01562E780, 16 bytes long.
 Data: <@  `            > 40 E9 88 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C01562DF10, 16 bytes long.
 Data: < W `            > F8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C01562DF60, 16 bytes long.
 Data: <&#216;W `            > D8 57 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C01562E460, 16 bytes long.
 Data: <P  `            > 50 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C01562E140, 16 bytes long.
 Data: <0  `            > 30 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C01562E690, 16 bytes long.
 Data: <   `            > E0 02 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C01562EC30, 16 bytes long.
 Data: <   `            > 10 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C01562E870, 16 bytes long.
 Data: <p  `            > 70 04 85 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C01562E3C0, 16 bytes long.
 Data: < &#192; `            > 18 C0 83 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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