Task 38665469

Name test_929-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6697_0
Workunit 31608563
Created 25 Oct 2026, 1:07:04 UTC
Sent 25 Oct 2026, 1:28:46 UTC
Report deadline 30 Oct 2026, 1:28:46 UTC
Received 25 Oct 2026, 2:17:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 17 min 59 sec
CPU time 16 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.70 MB
Peak swap size 10.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:59:06 (22016): wrapper (7.9.26016): starting
21:59:06 (22016): 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
21:59:07 (22016): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:59:07 (22016): 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
22:16:19 (22016): C:/Windows/system32/cmd.exe exited; CPU time 1018.078125
22:16:19 (22016): 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: 20671641 bytes.
Dumping objects ->
{3835270} normal block at 0x000002C9AEE1D2E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000002C9ACFC4800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000002C9ACFC4A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000002C9ACFC4B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002C9ACFC4790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000002C9AEE64170, 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) : {3835182} normal block at 0x000002C9ACFBE0F0, 8 bytes long.
 Data: <  L&#173;&#201;   > 00 00 4C AD C9 02 00 00 
{3833955} normal block at 0x000002C9ACFBE4B0, 8 bytes long.
 Data: <P0&#239;&#174;&#201;   > 50 30 EF AE C9 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002C9ACFC06B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C9ACFB5BA0, 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 0x000002C9ACFC5A80, 16 bytes long.
 Data: < _&#252;&#172;&#201;           > 08 5F FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C9ACFC5AD0, 16 bytes long.
 Data: <&#224;^&#252;&#172;&#201;           > E0 5E FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C9ACFBFF60, 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 0x000002C9ACFC4C20, 16 bytes long.
 Data: <&#184;^&#252;&#172;&#201;           > B8 5E FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C9ACFC59E0, 16 bytes long.
 Data: < ^&#252;&#172;&#201;           > 90 5E FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C9ACFC4DB0, 16 bytes long.
 Data: <h^&#252;&#172;&#201;           > 68 5E FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C9ACFC4EF0, 16 bytes long.
 Data: <@^&#252;&#172;&#201;           > 40 5E FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C9ACFC44F0, 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 0x000002C9ACFC58A0, 16 bytes long.
 Data: <&#184;&#221;&#251;&#172;&#201;           > B8 DD FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C9ACFBF2A0, 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 0x000002C9ACFC4CC0, 16 bytes long.
 Data: < &#221;&#251;&#172;&#201;           > 90 DD FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C9ACFC5990, 16 bytes long.
 Data: <h&#221;&#251;&#172;&#201;           > 68 DD FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C9ACFC4FE0, 16 bytes long.
 Data: <@&#221;&#251;&#172;&#201;           > 40 DD FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C9ACFC5170, 16 bytes long.
 Data: < &#221;&#251;&#172;&#201;           > 18 DD FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C9ACFC4F90, 16 bytes long.
 Data: <&#240;&#220;&#251;&#172;&#201;           > F0 DC FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C9ACFC5850, 16 bytes long.
 Data: <&#200;&#220;&#251;&#172;&#201;           > C8 DC FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C9ACFBFBA0, 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 0x000002C9ACFC5800, 16 bytes long.
 Data: <&#160;&#220;&#251;&#172;&#201;           > A0 DC FB AC C9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C9ACFBDCA0, 320 bytes long.
 Data: < X&#252;&#172;&#201;   &#160;&#251;&#251;&#172;&#201;   > 00 58 FC AC C9 02 00 00 A0 FB FB AC C9 02 00 00 
{273} normal block at 0x000002C9ACFC5580, 16 bytes long.
 Data: < ^&#252;&#172;&#201;           > 20 5E FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C9ACFC57B0, 16 bytes long.
 Data: <&#248;]&#252;&#172;&#201;           > F8 5D FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C9ACFBFB40, 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 0x000002C9ACFC5120, 16 bytes long.
 Data: <&#208;]&#252;&#172;&#201;           > D0 5D FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C9ACFBF900, 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 0x000002C9ACFC5760, 16 bytes long.
 Data: < ]&#252;&#172;&#201;           > 18 5D FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C9ACFC58F0, 16 bytes long.
 Data: <&#240;\&#252;&#172;&#201;           > F0 5C FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C9ACFC5A30, 16 bytes long.
 Data: <&#200;\&#252;&#172;&#201;           > C8 5C FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C9ACFC53F0, 16 bytes long.
 Data: <&#160;\&#252;&#172;&#201;           > A0 5C FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C9ACFC5670, 16 bytes long.
 Data: <x\&#252;&#172;&#201;           > 78 5C FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C9ACFC50D0, 16 bytes long.
 Data: <P\&#252;&#172;&#201;           > 50 5C FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C9ACFC5440, 16 bytes long.
 Data: < D&#252;&#172;&#201;           > 80 44 FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C9ACFC4480, 40 bytes long.
 Data: <@T&#252;&#172;&#201;   pA&#230;&#174;&#201;   > 40 54 FC AC C9 02 00 00 70 41 E6 AE C9 02 00 00 
{259} normal block at 0x000002C9ACFC5620, 16 bytes long.
 Data: <0\&#252;&#172;&#201;           > 30 5C FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C9ACFC56C0, 16 bytes long.
 Data: < \&#252;&#172;&#201;           > 08 5C FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C9ACFBFE40, 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 0x000002C9ACFC5080, 16 bytes long.
 Data: <&#224;[&#252;&#172;&#201;           > E0 5B FC AC C9 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002C9ACFC5BE0, 992 bytes long.
 Data: < P&#252;&#172;&#201;   @&#254;&#251;&#172;&#201;   > 80 50 FC AC C9 02 00 00 40 FE FB AC C9 02 00 00 
{91} normal block at 0x000002C9ACFBF960, 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 0x000002C9ACFBE460, 16 bytes long.
 Data: <&#208;&#230;&#250;&#172;&#201;           > D0 E6 FA AC C9 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002C9ACFAE6D0, 40 bytes long.
 Data: <`&#228;&#251;&#172;&#201;   `&#249;&#251;&#172;&#201;   > 60 E4 FB AC C9 02 00 00 60 F9 FB AC C9 02 00 00 
{68} normal block at 0x000002C9ACFBEAF0, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C9ACFBE0A0, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C9ACFBEC80, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C9ACFBE050, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C9ACFBE2D0, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C9ACFBEF50, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C9ACFBE140, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C9ACFBE550, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C9ACFBEFA0, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C9ACFBEE60, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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