Task 38685715

Name test_332-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND3019_0
Workunit 31627175
Created 27 Oct 2026, 22:30:58 UTC
Sent 27 Oct 2026, 22:31:13 UTC
Report deadline 1 Nov 2026, 22:31:13 UTC
Received 28 Oct 2026, 0:10:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 50 min 15 sec
CPU time 42 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 629.95 MB
Peak swap size 9.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:06:36 (10608): wrapper (7.9.26016): starting
01:06:36 (10608): 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
01:06:39 (10608): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:06:39 (10608): 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\24\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\24\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
01:54:58 (10608): C:/Windows/system32/cmd.exe exited; CPU time 2560.375000
01:54:58 (10608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 34125409 bytes.
Dumping objects ->
{3835241} normal block at 0x000001FD07ECAAE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x000001FD07ECACA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001FD07ECB250, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x000001FD07ECAA00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001FD062FC3F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x000001FD07F133A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x000001FD07F71CB0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x000001FD062F7250, 8 bytes long.
 Data: <    &#253;   > 00 00 03 08 FD 01 00 00 
{3834544} normal block at 0x000001FD07F71800, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001FD062F7CF0, 8 bytes long.
 Data: <0&#169;. &#253;   > 30 A9 2E 06 FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001FD06300DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FD062EDAA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001FD06302330, 16 bytes long.
 Data: <XD0 &#253;           > 58 44 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD06301E30, 16 bytes long.
 Data: <0D0 &#253;           > 30 44 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD062FD130, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001FD06301CF0, 16 bytes long.
 Data: < D0 &#253;           > 08 44 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FD06302420, 16 bytes long.
 Data: <&#224;C0 &#253;           > E0 43 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FD06302970, 16 bytes long.
 Data: <&#184;C0 &#253;           > B8 43 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FD06302010, 16 bytes long.
 Data: <&#144;C0 &#253;           > 90 43 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FD062FC4D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001FD06301F20, 16 bytes long.
 Data: <&#200;Z. &#253;           > C8 5A 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FD062FDBB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001FD06302100, 16 bytes long.
 Data: <&#160;Z. &#253;           > A0 5A 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FD063028D0, 16 bytes long.
 Data: <xZ. &#253;           > 78 5A 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD063025B0, 16 bytes long.
 Data: <PZ. &#253;           > 50 5A 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FD06302A60, 16 bytes long.
 Data: <(Z. &#253;           > 28 5A 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD06301DE0, 16 bytes long.
 Data: < Z. &#253;           > 00 5A 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FD06302880, 16 bytes long.
 Data: <&#216;Y. &#253;           > D8 59 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD062FD6D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000001FD06302830, 16 bytes long.
 Data: <&#176;Y. &#253;           > B0 59 2E 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FD062E59B0, 320 bytes long.
 Data: <0(0 &#253;   &#208;&#214;/ &#253;   > 30 28 30 06 FD 01 00 00 D0 D6 2F 06 FD 01 00 00 
{266} normal block at 0x000001FD06302290, 16 bytes long.
 Data: <pC0 &#253;           > 70 43 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FD06302380, 16 bytes long.
 Data: <HC0 &#253;           > 48 43 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FD062FD730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001FD06302920, 16 bytes long.
 Data: < C0 &#253;           > 20 43 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FD062FDA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001FD063027E0, 16 bytes long.
 Data: <hB0 &#253;           > 68 42 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FD06302A10, 16 bytes long.
 Data: <@B0 &#253;           > 40 42 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FD06302790, 16 bytes long.
 Data: < B0 &#253;           > 18 42 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FD06302650, 16 bytes long.
 Data: <&#240;A0 &#253;           > F0 41 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FD06301FC0, 16 bytes long.
 Data: <&#200;A0 &#253;           > C8 41 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FD06302B00, 16 bytes long.
 Data: <&#160;A0 &#253;           > A0 41 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FD06302740, 16 bytes long.
 Data: <&#176;&#190;/ &#253;           > B0 BE 2F 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FD062FBEB0, 40 bytes long.
 Data: <@'0 &#253;   &#160;3&#241; &#253;   > 40 27 30 06 FD 01 00 00 A0 33 F1 07 FD 01 00 00 
{252} normal block at 0x000001FD06301D90, 16 bytes long.
 Data: <&#128;A0 &#253;           > 80 41 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FD06302AB0, 16 bytes long.
 Data: <XA0 &#253;           > 58 41 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001FD062FD1F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001FD063026F0, 16 bytes long.
 Data: <0A0 &#253;           > 30 41 30 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001FD06304130, 992 bytes long.
 Data: <&#240;&0 &#253;   &#240;&#209;/ &#253;   > F0 26 30 06 FD 01 00 00 F0 D1 2F 06 FD 01 00 00 
{84} normal block at 0x000001FD062FD670, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001FD062F7430, 16 bytes long.
 Data: < &#192;/ &#253;           > 00 C0 2F 06 FD 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001FD062FC000, 40 bytes long.
 Data: <0t/ &#253;   p&#214;/ &#253;   > 30 74 2F 06 FD 01 00 00 70 D6 2F 06 FD 01 00 00 
{61} normal block at 0x000001FD062F8100, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FD062F7660, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FD062F7D40, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FD062F8060, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FD062F7340, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FD062F7E30, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FD062F7F20, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001FD062F7930, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001FD062F72F0, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001FD062F7200, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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