Task 38681966

Name test_536-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4289_0
Workunit 31623606
Created 27 Oct 2026, 6:00:46 UTC
Sent 27 Oct 2026, 6:00:48 UTC
Report deadline 1 Nov 2026, 6:00:48 UTC
Received 27 Oct 2026, 15:57:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631520
Run time 35 min 32 sec
CPU time 33 min 8 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 695.58 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>
00:21:57 (10264): wrapper (7.9.26016): starting
00:21:57 (10264): 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
00:22:00 (10264): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:22:00 (10264): 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
00:56:09 (10264): C:/Windows/system32/cmd.exe exited; CPU time 1988.578125
00:56:09 (10264): 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: 36828205 bytes.
Dumping objects ->
{3835268} normal block at 0x0000016D866CBEA0, 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 0x0000016D848845E0, 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 0x0000016D84884C70, 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 0x0000016D84884C00, 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 0x0000016D84884AB0, 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 0x0000016D86718C30, 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 0x0000016D84880270, 8 bytes long.
 Data: <  &#208; m   > 00 00 D0 84 6D 01 00 00 
{3834037} normal block at 0x0000016D84881170, 8 bytes long.
 Data: <&#176; b m   > B0 E3 62 86 6D 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000016D84876250, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016D84876E60, 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 0x0000016D84885B00, 16 bytes long.
 Data: <&#216;d  m           > D8 64 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016D84885D80, 16 bytes long.
 Data: <&#176;d  m           > B0 64 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016D8487F630, 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 0x0000016D848857E0, 16 bytes long.
 Data: < d  m           > 88 64 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016D848858D0, 16 bytes long.
 Data: <`d  m           > 60 64 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016D84885650, 16 bytes long.
 Data: <8d  m           > 38 64 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016D848860A0, 16 bytes long.
 Data: < d  m           > 10 64 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016D848849D0, 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 0x0000016D84885AB0, 16 bytes long.
 Data: <    m           > E8 EF 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016D8487F810, 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 0x0000016D84885920, 16 bytes long.
 Data: <&#192;   m           > C0 EF 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016D848855B0, 16 bytes long.
 Data: <    m           > 98 EF 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016D84885510, 16 bytes long.
 Data: <p   m           > 70 EF 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016D848854C0, 16 bytes long.
 Data: <H   m           > 48 EF 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016D84885970, 16 bytes long.
 Data: <    m           > 20 EF 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016D848853D0, 16 bytes long.
 Data: <    m           > F8 EE 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016D8487F8D0, 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 0x0000016D84885FB0, 16 bytes long.
 Data: <&#208;   m           > D0 EE 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016D8486EED0, 320 bytes long.
 Data: <&#176;_  m   &#208;   m   > B0 5F 88 84 6D 01 00 00 D0 F8 87 84 6D 01 00 00 
{271} normal block at 0x0000016D84885600, 16 bytes long.
 Data: < c  m           > F0 63 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016D84885E70, 16 bytes long.
 Data: <&#200;c  m           > C8 63 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016D8487FD50, 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 0x0000016D84885790, 16 bytes long.
 Data: < c  m           > A0 63 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016D8487FB10, 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 0x0000016D84886050, 16 bytes long.
 Data: < b  m           > E8 62 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016D848852E0, 16 bytes long.
 Data: <&#192;b  m           > C0 62 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016D848860F0, 16 bytes long.
 Data: < b  m           > 98 62 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016D84885A60, 16 bytes long.
 Data: <pb  m           > 70 62 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016D84885E20, 16 bytes long.
 Data: <Hb  m           > 48 62 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016D84885560, 16 bytes long.
 Data: < b  m           > 20 62 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016D84885740, 16 bytes long.
 Data: < L  m           > E0 4C 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016D84884CE0, 40 bytes long.
 Data: <@W  m   0 q m   > 40 57 88 84 6D 01 00 00 30 8C 71 86 6D 01 00 00 
{257} normal block at 0x0000016D84885240, 16 bytes long.
 Data: < b  m           > 00 62 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016D84885470, 16 bytes long.
 Data: <&#216;a  m           > D8 61 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016D8487F210, 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 0x0000016D84885D30, 16 bytes long.
 Data: <&#176;a  m           > B0 61 88 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016D848861B0, 992 bytes long.
 Data: <0]  m       m   > 30 5D 88 84 6D 01 00 00 10 F2 87 84 6D 01 00 00 
{89} normal block at 0x0000016D8487F4B0, 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 0x0000016D84880450, 16 bytes long.
 Data: <&#208;&#212;  m           > D0 D4 86 84 6D 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000016D8486D4D0, 40 bytes long.
 Data: <P   m   &#176;   m   > 50 04 88 84 6D 01 00 00 B0 F4 87 84 6D 01 00 00 
{64} normal block at 0x0000016D84880F90, 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 0x0000016D848809F0, 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 0x0000016D84881030, 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 0x0000016D84880360, 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 0x0000016D84880590, 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 0x0000016D84880A90, 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 0x0000016D84880E00, 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 0x0000016D84880C70, 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 0x0000016D84880540, 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 0x0000016D84880310, 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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