Task 38661848

Name test_335-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND6036_0
Workunit 31605223
Created 24 Oct 2026, 16:24:42 UTC
Sent 24 Oct 2026, 16:27:56 UTC
Report deadline 29 Oct 2026, 16:27:56 UTC
Received 24 Oct 2026, 20:31:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639329
Run time 48 min 57 sec
CPU time 48 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,534.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.90 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:09:21 (18880): wrapper (7.9.26016): starting
21:09:21 (18880): 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
21:09:22 (18880): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:09:22 (18880): 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 'G:\Programme\BOINC\Data\slots\25\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 'G:\Programme\BOINC\Data\slots\25\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
22:00:24 (18880): C:/Windows/system32/cmd.exe exited; CPU time 2937.218750
22:00:24 (18880): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 64764735 bytes.
Dumping objects ->
{3835618} normal block at 0x0000015140B87FE0, 64 bytes long.
 Data: <PATH=G:\Programm> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835607} normal block at 0x000001513EE94300, 48 bytes long.
 Data: <HOME=G:\Programm> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835596} normal block at 0x000001513EE94060, 48 bytes long.
 Data: <TMP=G:\Programme> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 65 
{3835585} normal block at 0x000001513EE946F0, 48 bytes long.
 Data: <TEMP=G:\Programm> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835574} normal block at 0x000001513EE94680, 48 bytes long.
 Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x0000015140B88A60, 64 bytes long.
 Data: <PATH=G:\Programm> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835532} normal block at 0x0000015140B9DE70, 102 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) : {3835529} normal block at 0x000001513EE8DE30, 8 bytes long.
 Data: <  C?Q   > 00 00 43 3F 51 01 00 00 
{3834720} normal block at 0x0000015140B9DDC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001513EE8E560, 8 bytes long.
 Data: < &#215;&#231;>Q   > 80 D7 E7 3E 51 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001513EE901C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001513EE85470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001513EE958D0, 16 bytes long.
 Data: < ]&#233;>Q           > 08 5D E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001513EE94ED0, 16 bytes long.
 Data: <&#224;\&#233;>Q           > E0 5C E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001513EE8FA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001513EE94A70, 16 bytes long.
 Data: <&#184;\&#233;>Q           > B8 5C E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001513EE95830, 16 bytes long.
 Data: < \&#233;>Q           > 90 5C E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001513EE94C50, 16 bytes long.
 Data: <h\&#233;>Q           > 68 5C E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001513EE957E0, 16 bytes long.
 Data: <@\&#233;>Q           > 40 5C E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001513EE94450, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001513EE95560, 16 bytes long.
 Data: <h&#134;&#232;>Q           > 68 86 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001513EE8EE30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001513EE94D90, 16 bytes long.
 Data: <@&#134;&#232;>Q           > 40 86 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001513EE94A20, 16 bytes long.
 Data: < &#134;&#232;>Q           > 18 86 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001513EE95100, 16 bytes long.
 Data: <&#240;&#133;&#232;>Q           > F0 85 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001513EE95970, 16 bytes long.
 Data: <&#200;&#133;&#232;>Q           > C8 85 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001513EE95290, 16 bytes long.
 Data: <&#160;&#133;&#232;>Q           > A0 85 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001513EE951A0, 16 bytes long.
 Data: <x&#133;&#232;>Q           > 78 85 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001513EE8F790, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001513EE94E30, 16 bytes long.
 Data: <P&#133;&#232;>Q           > 50 85 E8 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001513EE88550, 320 bytes long.
 Data: <0N&#233;>Q    &#247;&#232;>Q   > 30 4E E9 3E 51 01 00 00 90 F7 E8 3E 51 01 00 00 
{275} normal block at 0x000001513EE952E0, 16 bytes long.
 Data: < \&#233;>Q           > 20 5C E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001513EE94DE0, 16 bytes long.
 Data: <&#248;[&#233;>Q           > F8 5B E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001513EE8F310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001513EE94F20, 16 bytes long.
 Data: <&#208;[&#233;>Q           > D0 5B E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001513EE8EFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001513EE94BB0, 16 bytes long.
 Data: < [&#233;>Q           > 18 5B E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001513EE94D40, 16 bytes long.
 Data: <&#240;Z&#233;>Q           > F0 5A E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001513EE95240, 16 bytes long.
 Data: <&#200;Z&#233;>Q           > C8 5A E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001513EE954C0, 16 bytes long.
 Data: <&#160;Z&#233;>Q           > A0 5A E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001513EE95420, 16 bytes long.
 Data: <xZ&#233;>Q           > 78 5A E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001513EE94F70, 16 bytes long.
 Data: <PZ&#233;>Q           > 50 5A E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001513EE94E80, 16 bytes long.
 Data: <&#160;E&#233;>Q           > A0 45 E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001513EE945A0, 40 bytes long.
 Data: < N&#233;>Q   `&#138;&#184;@Q   > 80 4E E9 3E 51 01 00 00 60 8A B8 40 51 01 00 00 
{261} normal block at 0x000001513EE95920, 16 bytes long.
 Data: <0Z&#233;>Q           > 30 5A E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001513EE95650, 16 bytes long.
 Data: < Z&#233;>Q           > 08 5A E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001513EE8F0D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001513EE95790, 16 bytes long.
 Data: <&#224;Y&#233;>Q           > E0 59 E9 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001513EE959E0, 992 bytes long.
 Data: < W&#233;>Q   &#208;&#240;&#232;>Q   > 90 57 E9 3E 51 01 00 00 D0 F0 E8 3E 51 01 00 00 
{93} normal block at 0x000001513EE8F010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001513EE8E380, 16 bytes long.
 Data: <P&#238;&#231;>Q           > 50 EE E7 3E 51 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001513EE7EE50, 40 bytes long.
 Data: < &#227;&#232;>Q    &#240;&#232;>Q   > 80 E3 E8 3E 51 01 00 00 10 F0 E8 3E 51 01 00 00 
{70} normal block at 0x000001513EE8DD90, 16 bytes long.
 Data: < &#234;n &#247;           > 80 EA 6E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001513EE8E880, 16 bytes long.
 Data: <@&#233;n &#247;           > 40 E9 6E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001513EE8E420, 16 bytes long.
 Data: <&#248;Wk &#247;           > F8 57 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001513EE8EB00, 16 bytes long.
 Data: <&#216;Wk &#247;           > D8 57 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001513EE8E1F0, 16 bytes long.
 Data: <P k &#247;           > 50 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001513EE8EBF0, 16 bytes long.
 Data: <0 k &#247;           > 30 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001513EE8E650, 16 bytes long.
 Data: <&#224; k &#247;           > E0 02 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001513EE8E510, 16 bytes long.
 Data: <  k &#247;           > 10 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001513EE8DD40, 16 bytes long.
 Data: <p k &#247;           > 70 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001513EE8DCF0, 16 bytes long.
 Data: < &#192;i &#247;           > 18 C0 69 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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