Task 38676732

Name test_112-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1505_0
Workunit 31618632
Created 26 Oct 2026, 12:09:53 UTC
Sent 26 Oct 2026, 12:10:05 UTC
Report deadline 31 Oct 2026, 12:10:05 UTC
Received 26 Oct 2026, 14:10:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653700
Run time 44 min 23 sec
CPU time 40 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.98 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
14:26:42 (10960): wrapper (7.9.26016): starting
14:26:42 (10960): 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
14:26:43 (10960): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:26:43 (10960): 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\5\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\5\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
15:10:05 (10960): C:/Windows/system32/cmd.exe exited; CPU time 2445.390625
15:10:05 (10960): 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: 52510101 bytes.
Dumping objects ->
{3835277} normal block at 0x000002DF5170DE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000002DF5170E850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000002DF5170DF90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000002DF5170E770, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002DF516E6E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000002DF533A23A0, 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) : {3835189} normal block at 0x000002DF516DC730, 8 bytes long.
 Data: <  &#201;Q&#223;   > 00 00 C9 51 DF 02 00 00 
{3833985} normal block at 0x000002DF516DC3C0, 8 bytes long.
 Data: <P&#235;$S&#223;   > 50 EB 24 53 DF 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000002DF516E3160, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000002DF516D0360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000002DF516E8110, 16 bytes long.
 Data: <X&#137;nQ&#223;           > 58 89 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000002DF516E7760, 16 bytes long.
 Data: <0&#137;nQ&#223;           > 30 89 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002DF516DF8A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000002DF516E7CB0, 16 bytes long.
 Data: < &#137;nQ&#223;           > 08 89 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002DF516E7940, 16 bytes long.
 Data: <&#224; nQ&#223;           > E0 88 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002DF516E7F30, 16 bytes long.
 Data: <&#184; nQ&#223;           > B8 88 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002DF516E8520, 16 bytes long.
 Data: <  nQ&#223;           > 90 88 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002DF516E6B40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000002DF516E8480, 16 bytes long.
 Data: <  mQ&#223;           > 18 0A 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002DF516E0200, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000002DF516E7B70, 16 bytes long.
 Data: <&#240;	mQ&#223;           > F0 09 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002DF516E8070, 16 bytes long.
 Data: <&#200;	mQ&#223;           > C8 09 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002DF516E83E0, 16 bytes long.
 Data: <&#160;	mQ&#223;           > A0 09 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002DF516E8390, 16 bytes long.
 Data: <x	mQ&#223;           > 78 09 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002DF516E8340, 16 bytes long.
 Data: <P	mQ&#223;           > 50 09 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002DF516E8570, 16 bytes long.
 Data: <(	mQ&#223;           > 28 09 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002DF516E01A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000002DF516E7800, 16 bytes long.
 Data: < 	mQ&#223;           > 00 09 6D 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002DF516D0900, 320 bytes long.
 Data: < xnQ&#223;   &#160; nQ&#223;   > 00 78 6E 51 DF 02 00 00 A0 01 6E 51 DF 02 00 00 
{288} normal block at 0x000002DF516E7B20, 16 bytes long.
 Data: <p nQ&#223;           > 70 88 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002DF516E78F0, 16 bytes long.
 Data: <H nQ&#223;           > 48 88 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002DF516E0140, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000002DF516E8020, 16 bytes long.
 Data: <  nQ&#223;           > 20 88 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002DF516DF960, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000002DF516E78A0, 16 bytes long.
 Data: <h&#135;nQ&#223;           > 68 87 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002DF516E8430, 16 bytes long.
 Data: <@&#135;nQ&#223;           > 40 87 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002DF516E7710, 16 bytes long.
 Data: < &#135;nQ&#223;           > 18 87 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002DF516E7FD0, 16 bytes long.
 Data: <&#240;&#134;nQ&#223;           > F0 86 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002DF516E7A80, 16 bytes long.
 Data: <&#200;&#134;nQ&#223;           > C8 86 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002DF516E7EE0, 16 bytes long.
 Data: <&#160;&#134;nQ&#223;           > A0 86 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002DF516E7F80, 16 bytes long.
 Data: <&#240;pnQ&#223;           > F0 70 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002DF516E70F0, 40 bytes long.
 Data: <  nQ&#223;   &#160;#:S&#223;   > 80 7F 6E 51 DF 02 00 00 A0 23 3A 53 DF 02 00 00 
{274} normal block at 0x000002DF516E80C0, 16 bytes long.
 Data: < &#134;nQ&#223;           > 80 86 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002DF516E77B0, 16 bytes long.
 Data: <X&#134;nQ&#223;           > 58 86 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002DF516DFC00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000002DF516E7AD0, 16 bytes long.
 Data: <0&#134;nQ&#223;           > 30 86 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002DF516E8630, 992 bytes long.
 Data: <&#208;znQ&#223;    &#252;mQ&#223;   > D0 7A 6E 51 DF 02 00 00 00 FC 6D 51 DF 02 00 00 
{106} normal block at 0x000002DF516E0320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000002DF516DBFB0, 16 bytes long.
 Data: <&#224;mnQ&#223;           > E0 6D 6E 51 DF 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000002DF516E6DE0, 40 bytes long.
 Data: <&#176;&#191;mQ&#223;     nQ&#223;   > B0 BF 6D 51 DF 02 00 00 20 03 6E 51 DF 02 00 00 
{83} normal block at 0x000002DF516DBB50, 16 bytes long.
 Data: < &#234;D&#147;&#247;           > 80 EA 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002DF516DC1E0, 16 bytes long.
 Data: <@&#233;D&#147;&#247;           > 40 E9 44 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002DF516DC820, 16 bytes long.
 Data: <&#248;WA&#147;&#247;           > F8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002DF516DBB00, 16 bytes long.
 Data: <&#216;WA&#147;&#247;           > D8 57 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002DF516DBAB0, 16 bytes long.
 Data: <P A&#147;&#247;           > 50 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002DF516DBD30, 16 bytes long.
 Data: <0 A&#147;&#247;           > 30 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002DF516DC0F0, 16 bytes long.
 Data: <&#224; A&#147;&#247;           > E0 02 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002DF516DC280, 16 bytes long.
 Data: <  A&#147;&#247;           > 10 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002DF516DBF60, 16 bytes long.
 Data: <p A&#147;&#247;           > 70 04 41 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002DF516DC370, 16 bytes long.
 Data: < &#192;?&#147;&#247;           > 18 C0 3F 93 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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