Task 38681963

Name test_672-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4307_0
Workunit 31623603
Created 27 Oct 2026, 6:00:36 UTC
Sent 27 Oct 2026, 6:00:48 UTC
Report deadline 1 Nov 2026, 6:00:48 UTC
Received 27 Oct 2026, 15:22:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631520
Run time 36 min 22 sec
CPU time 33 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,608.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.28 MB
Peak swap size 5.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:45:32 (5648): wrapper (7.9.26016): starting
23:45:32 (5648): 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
23:45:34 (5648): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:45:34 (5648): 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
00:20:29 (5648): C:/Windows/system32/cmd.exe exited; CPU time 2032.250000
00:20:29 (5648): 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: 38046105 bytes.
Dumping objects ->
{3835268} normal block at 0x000001F5ABF3BBD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x000001F5ABF15300, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001F5ABF15290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835235} normal block at 0x000001F5ABF15920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001F5ABF15370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835193} normal block at 0x000001F5ADE65EB0, 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) : {3835180} normal block at 0x000001F5ABF10D50, 8 bytes long.
 Data: <  0&#172;    > 00 00 30 AC F5 01 00 00 
{3834037} normal block at 0x000001F5ABF118E0, 8 bytes long.
 Data: < &#167; &#171;    > F0 A7 F3 AB F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F5ABF07A70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F5ABEFE870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001F5ABF161D0, 16 bytes long.
 Data: < m &#171;            > 88 6D F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F5ABF169A0, 16 bytes long.
 Data: <`m &#171;            > 60 6D F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F5ABF10060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001F5ABF15DC0, 16 bytes long.
 Data: <8m &#171;            > 38 6D F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F5ABF165E0, 16 bytes long.
 Data: < m &#171;            > 10 6D F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F5ABF16180, 16 bytes long.
 Data: < l &#171;            > E8 6C F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F5ABF16860, 16 bytes long.
 Data: <&#192;l &#171;            > C0 6C F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F5ABF158B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001F5ABF15E10, 16 bytes long.
 Data: <   &#171;            > 08 FF EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F5ABF103C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001F5ABF15F50, 16 bytes long.
 Data: <   &#171;            > E0 FE EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F5ABF162C0, 16 bytes long.
 Data: <&#184;  &#171;            > B8 FE EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F5ABF16130, 16 bytes long.
 Data: <   &#171;            > 90 FE EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F5ABF15D20, 16 bytes long.
 Data: <h  &#171;            > 68 FE EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F5ABF15D70, 16 bytes long.
 Data: <@  &#171;            > 40 FE EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F5ABF15B90, 16 bytes long.
 Data: <   &#171;            > 18 FE EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F5ABF10720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001F5ABF15AF0, 16 bytes long.
 Data: <   &#171;            > F0 FD EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F5ABEFFDF0, 320 bytes long.
 Data: < Z &#171;       &#171;    > F0 5A F1 AB F5 01 00 00 20 07 F1 AB F5 01 00 00 
{271} normal block at 0x000001F5ABF16040, 16 bytes long.
 Data: < l &#171;            > A0 6C F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F5ABF16900, 16 bytes long.
 Data: <xl &#171;            > 78 6C F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F5ABF0FAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001F5ABF15F00, 16 bytes long.
 Data: <Pl &#171;            > 50 6C F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F5ABF10480, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001F5ABF15C80, 16 bytes long.
 Data: < k &#171;            > 98 6B F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F5ABF168B0, 16 bytes long.
 Data: <pk &#171;            > 70 6B F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F5ABF16770, 16 bytes long.
 Data: <Hk &#171;            > 48 6B F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F5ABF166D0, 16 bytes long.
 Data: < k &#171;            > 20 6B F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F5ABF16310, 16 bytes long.
 Data: < j &#171;            > F8 6A F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F5ABF15EB0, 16 bytes long.
 Data: <&#208;j &#171;            > D0 6A F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F5ABF15C30, 16 bytes long.
 Data: <&#208;W &#171;            > D0 57 F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F5ABF157D0, 40 bytes long.
 Data: <0\ &#171;    &#176;^ &#173;    > 30 5C F1 AB F5 01 00 00 B0 5E E6 AD F5 01 00 00 
{257} normal block at 0x000001F5ABF16950, 16 bytes long.
 Data: <&#176;j &#171;            > B0 6A F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F5ABF16590, 16 bytes long.
 Data: < j &#171;            > 88 6A F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F5ABF10600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001F5ABF16810, 16 bytes long.
 Data: <`j &#171;            > 60 6A F1 AB F5 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F5ABF16A60, 992 bytes long.
 Data: < h &#171;       &#171;    > 10 68 F1 AB F5 01 00 00 00 06 F1 AB F5 01 00 00 
{89} normal block at 0x000001F5ABF10660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001F5ABF11110, 16 bytes long.
 Data: < &#194; &#171;            > A0 C2 EF AB F5 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001F5ABEFC2A0, 40 bytes long.
 Data: <   &#171;    `  &#171;    > 10 11 F1 AB F5 01 00 00 60 06 F1 AB F5 01 00 00 
{64} normal block at 0x000001F5ABF112F0, 16 bytes long.
 Data: <   Q            > 80 EA 18 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F5ABF117A0, 16 bytes long.
 Data: <@  Q            > 40 E9 18 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F5ABF11890, 16 bytes long.
 Data: < W Q            > F8 57 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F5ABF11980, 16 bytes long.
 Data: <&#216;W Q            > D8 57 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F5ABF11390, 16 bytes long.
 Data: <P  Q            > 50 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F5ABF10FD0, 16 bytes long.
 Data: <0  Q            > 30 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F5ABF11430, 16 bytes long.
 Data: <   Q            > E0 02 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F5ABF10CB0, 16 bytes long.
 Data: <   Q            > 10 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F5ABF10BC0, 16 bytes long.
 Data: <p  Q            > 70 04 15 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F5ABF110C0, 16 bytes long.
 Data: < &#192; Q            > 18 C0 13 51 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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